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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"SG Hou" "H Yang" "TH Ma" "LN Xu" "X Liu" "WL Na" "S Lin"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=6

ID: 42
InChIKey: JIMHYXZZCWVCMI-RIYZIHGNSA-N
SMILES: C1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/SC2=S)C(F)(F)F

biological descriptors:

CFTR relevance: CFTR inhibitor

Category:
Influence on CFTR function inhibits CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 42



CID is 1554210
synonyms found at PubChem are:
CFTR Inhibitor 172, C18H10F3NO3S2, 307510-92-5, CFTRinh 172, CFTR(inh)-172, 4-[(E)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, CFTRinh-172, CFTRinh - 172, AC1LT95D, CFTR-172, SCHEMBL1881897, CHEMBL1554655, 5-[(4-Carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl-4-thiazolidinone, 5-[(4-carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl]-4-thiazolidinone, MolPort-008-130-993, MolPort-028-751-092, 4-[4-oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-(5z)-ylidenemethyl]-benzoic acid, 4-[4-OXO-2-THIOXO-3-(3-TRIFLUOROMETHYL-PHENYL)-THIAZOLIDIN-5-YLIDENEMETHYL]-BENZOIC ACID, 2313AH, s7139, ZINC13829351, AKOS003140113, NCGC00165765-01, KB-41399, BB0220685, BB 0220685, CFTR(inh)-172, >=98% (HPLC), powder, 4-[[4-Oxo-2-thioxo-3-[3-trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]benzoic acid, 4-{[(5E)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}benzoic acid, benzoic acid, 4-[[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]-

ID: 59
InChIKey: OLOOJGVNMBJLLR-UHFFFAOYSA-N
SMILES: CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 59



CID is 10212
synonyms found at PubChem are:
IMPERATORIN, 482-44-0, Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene, Marmelide, NSC 402949, CCRIS 4346, UNII-K713N25C78, 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one, HSDB 3497, EINECS 207-581-1, 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one, AI3-61725, CHEBI:5885, CHEMBL453805, OLOOJGVNMBJLLR-UHFFFAOYSA-N, 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-, 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one, K713N25C78, 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one, NCGC00095209-01, 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one, 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one, 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-, 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone, 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE, 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone, DSSTox_CID_28663, DSSTox_RID_82933, DSSTox_GSID_48737, Q-100532, 9-(3-methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one, 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one, 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one, CAS-482-44-0, Pentosalen [BAN], Enoxypsoralen, 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-, Pentasalen, BAN, Imperatorin,(S), 8-Prenyloxypsoralen, Spectrum_000755, 8-isopentenyloxypsoralen, 5-hydroxy-8-(1,1-dimethylallyl)psoralen, SpecPlus_000755, AC1L1UPZ, Spectrum2_000376, Spectrum3_000145, Spectrum4_001422, Spectrum5_000244, [3,2-g]chromen-7-one, D09ROW, Oprea1_407817, SCHEMBL50437, BSPBio_001850, KBioGR_001864, KBioSS_001235, SPECTRUM102076, MLS000574838, DivK1c_006851, SPBio_000531, Marmelosin, analytical standard, MEGxp0_000089, ZINC1904, DTXSID8048737, ACon1_001117, CTK5J8942, KBio1_001795, KBio2_001235, KBio2_003803, KBio2_006371, KBio3_001050, MolPort-000-881-264, HMS1922N22, HMS2218G08, HMS3261C08, HMS3354E04, BCP28280, HY-N0285, 8-(3-Methyl-2-butenyloxy)psoralen, Tox21_113179, Tox21_500413, BDBM50308719, CCG-38649, CI0030, MFCD00016881, NSC402949, 9-(3-methylbut-2-enyloxy)-7H-furo, AKOS000277029, Tox21_113179_1, AC-8046, AN-8400, API0002987, CS-5800, Imperatorin, >=98% (HPLC), powder, LP00413, MCULE-3248623364, NSC-402949, SDCCGMLS-0066373.P001, NCGC00095209-02, NCGC00095209-03, NCGC00095209-04, NCGC00095209-05, NCGC00095209-06, NCGC00169661-01, NCGC00169661-02, NCGC00261098-01, CC-29497, LS-70737, SC-16643, SMR000156241, ZB000436, TR-036857, WLN: T C566 DO LVOTJ BO2UY1&1, FT-0603414, I0904, N1859, ST45000841, W1274, 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-, C09269, 482I440, A827504, C-16983, SR-01000721772, I06-0320, SR-01000721772-2, 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene, 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one, 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone, Imperatorin, European Pharmacopoeia (EP) Reference Standard, 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #, 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one, 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one), 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-, 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-, 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one, 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI, 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone, 70102-00-0, InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H

ID: 2578
InChIKey: XGPBRZDOJDLKOT-NXIDYTHLSA-N
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2578



CID is 38347607
synonyms found at PubChem are:
Praeruptorin A, 73069-27-9, (+)-Praeruptorin A, 73069-25-7, (-)-Praeruptorin A, PraeruptorinA, CHEMBL2376509, DTXSID20653395, MolPort-020-005-726, ZINC31156206, AKOS016011014, AJ-84194, AK119810, AX8245226, (9S,10S)-10-(Acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl (2Z)-2-methylbut-2-enoate, [(9S,10S)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate

ID: 48
InChIKey: MBRLOUHOWLUMFF-UHFFFAOYSA-N
SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 48



CID is 10228
synonyms found at PubChem are:
Osthole, Osthol, 484-12-8, Ostol, Ostole, 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one, 7-Methoxy-8-isopentenylcoumarin, 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-, 8-(3-Methyl-2-butenyl)herniarin, 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one, 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, UNII-XH1TI1759C, NSC 31868, 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN, 7-methoxy-8-(3-methyl-2-butenyl)coumarin, Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-, CHEMBL52229, XH1TI1759C, CHEBI:69832, C15H16O3, NSC31868, 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one, Q-100535, 7-methoxy-8-(3-methylbut-2-enyl)-2H-chromen-2-one, SMR000156202, Osthole (Osthol), Osthole,(S), Cnidium Fruit Extract, Spectrum_001542, SpecPlus_000946, Spectrum2_000723, Spectrum3_001645, Spectrum4_001687, Spectrum5_000334, AC1L1UR5, Osthole, analytical standard, Oprea1_642606, Oprea1_873803, SCHEMBL50436, BSPBio_003369, KBioGR_001954, KBioSS_002022, ZINC566, MLS000574904, MLS001048988, MLS006011425, DivK1c_007042, SPECTRUM1504165, SPBio_000646, MEGxp0_000155, ACon1_002155, CTK7A8592, KBio1_001986, KBio2_002022, KBio2_004590, KBio2_007158, KBio3_002589, DTXSID20197507, MBRLOUHOWLUMFF-UHFFFAOYSA-N, MolPort-000-881-851, HMS2267O21, HMS3656A07, BCP10832, EBD33224, HY-N0054, KS-00000N3A, ANW-50075, BBL013019, BDBM50240512, CCG-40172, CO0040, MFCD00076049, NSC-31868, s2337, STK396321, AKOS000277663, AC-8041, AN-8395, CS-2125, DS-0881, MCULE-5691054147, RP28651, RTR-017689, SDCCGMLS-0066780.P001, NCGC00095694-01, NCGC00095694-02, NCGC00095694-03, NCGC00095694-05, WLN: T66 BOVJ IO1 J2UY1&1, 4CN-0704, AJ-07908, AK-35300, BAS 00015470, BR-35300, CC-33366, CJ-00015, LS-55250, ZB000125, AB0021820, AX8007596, KB-250032, ST2412572, TR-017689, FT-0082540, FT-0601535, N1825, O0426, ST50909221, W1256, C09280, J10077, S-3211, 484O128, A827530, C-14815, Osthole, primary pharmaceutical reference standard, SR-01000721624, I06-0435, SR-01000721624-4, BRD-K78294846-001-03-3, 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #, 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one, Osthole, European Pharmacopoeia (EP) Reference Standard, 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI), 1440642-68-1, InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H

ID: 69
InChIKey: RODXRVNMMDRFIK-UHFFFAOYSA-N
SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 69



CID is 5280460
synonyms found at PubChem are:
scopoletin, 92-61-5, Gelseminic acid, 6-Methylesculetin, 7-Hydroxy-6-methoxy-2H-chromen-2-one, Chrysatropic acid, Scopoletine, 7-Hydroxy-6-methoxycoumarin, Murrayetin, Scopoletol, 6-O-Methylesculetin, Escopoletin, 6-Methoxy-7-hydroxycoumarin, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, 6-Methoxyumbelliferone, 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-, Esculetin 6-methyl ether, beta-Methylesculetin, Esculetin-6-methyl ether, .beta.-Methylesculetin, Buxuletin, UNII-KLF1HS0SXJ, COUMARIN, 7-HYDROXY-6-METHOXY-, 7-hydroxy-6-methoxychromen-2-one, 7-Hydroxy-5-methoxycoumarin, NSC 405647, CCRIS 3592, KLF1HS0SXJ, EINECS 202-171-9, NSC405647, BRN 0156296, CHEMBL71851, CHEBI:17488, RODXRVNMMDRFIK-UHFFFAOYSA-N, 7-hydroxy-6-methoxy-chromen-2-one, TNP00096, NSC-405647, S-2000, 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI), Chrysotropic Acid, Acid, Gelseminic, Scopoletin solution, 100 mM in DMSO, Acid, Chrysotropic, SMR000112541, 92-61-5 solution, 100 mM in DMSO, Gelseminic acid solution, 100 mM in DMSO, 6-Methylesculetin solution, 100 mM in DMSO, SR-01000841273, Baogongteng B, b-Methylaesculetin, beta -methylesculetin, PubChem15777, Scopoletin, >=99%, Prestwick0_000962, Prestwick1_000962, Prestwick2_000962, Prestwick3_000962, Spectrum2_001207, Spectrum3_001532, Spectrum4_001054, Spectrum5_000654, Aesculetin 6-methyl ether, D05QOR, AC1NQX27, BIDD:PXR0125, BSPBio_000963, BSPBio_002944, KBioGR_001348, 5-18-03-00203 (Beilstein Handbook Reference), 7-hydroxy-6-methoxy-coumarin, MLS002154074, MLS002472878, DivK1c_000720, SCHEMBL147702, SPECTRUM1502242, 7-hydroxy 6-methoxy coumarine, SPBio_000994, SPBio_002884, Scopoletin, analytical standard, BPBio1_001061, MEGxp0_001192, DTXSID0075368, ACon1_000143, HMS502D22, KBio1_000720, KBio3_002444, KS-00000YGS, ZINC57733, BIS1402, MolPort-000-707-493, NINDS_000720, ZX-AFC000681, HMS1571A05, HMS1921N16, HMS2098A05, HMS2268G04, ALBB-023369, BCP13342, HY-N0342, ZX-AN021883, ZX-AT021192, 6-methoxy-7-oxidanyl-chromen-2-one, BDBM50156693, CCG-39140, MFCD00006872, TD8126, Scopoletin solution, 20 mM in DMSO, AKOS000277133, CS-5791, FCH1115349, MCULE-6077230919, OR22352, RTR-029034, CAS-92-61-5, IDI1_000720, 7-hydroxy-6-methoxy-1-benzopyran-2-one, 92-61-5 solution, 20 mM in DMSO, NCGC00016349-01, NCGC00016349-02, NCGC00016349-03, NCGC00016349-04, NCGC00016349-05, NCGC00016349-06, NCGC00016349-07, NCGC00016349-08, NCGC00094973-01, NCGC00094973-02, NCGC00094973-03, 4CN-0905, AJ-09778, AK111291, AN-42608, CC-34387, LS-55217, NCI60_003834, SC-90283, ST056287, ZB002243, 7-Hydroxy-6-methoxy-2H-chromen-2-one #, Gelseminic acid solution, 20 mM in DMSO, AB0019688, AX8035441, KB-249948, TR-029034, 6-Methylesculetin solution, 20 mM in DMSO, AB00443525, FT-0631451, S0367, ST24045669, C01752, W-3522, 006S872, A844290, C-30831, SR-01000841273-3, SR-01000841273-4, 7-hydroxy-6-methoxycoumarin solution, 20 mM in DMSO, BRD-K96163925-001-06-5, BRD-K96163925-001-09-9, I14-14171, 0B4B9FAA-686D-4977-AA08-65F8E4F1977C, 7-hydroxy-6-methoxychromen-2-one solution, 20 mM in DMSO, Scopoletin, United States Pharmacopeia (USP) Reference Standard

ID: 2560
InChIKey: XDROKJSWHURZGO-UHFFFAOYSA-N
SMILES: C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2560



CID is 10658
synonyms found at PubChem are:
Angelicin, ISOPSORALEN, 523-50-2, 2H-Furo[2,3-H]chromen-2-one, Angecin, furo[2,3-h]chromen-2-one, Isopsoralin, Furo(2,3-h)coumarin, Angelecin, Angelicin (coumarin derivative), 2H-Furo[2,3-H]-1-benzopyran-2-one, 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran, UNII-CZZ080D7BD, Angelicin (coumarin deriv), NSC 404563, CCRIS 4276, Furo(5',4':7,8)coumarin, HSDB 3554, 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone, BRN 0153970, CZZ080D7BD, 2H-Furo(2,3-H)-1-benzopyran-2-one, CHEMBL53569, Furo[5',4':7,8]coumarin, 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone, CHEBI:28928, 2H-Furo(2,3-h)(1)benzopyran-2-one, Furo[2,3-h]coumarin, 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone, Q-100592, Isopsoralene, Isopsoralen,(S), Furo[5',8]coumarin, AS602868, D01OLO, D0S5KN, AC1L1VO2, AC1Q6BE0, Oprea1_022970, 5-19-04-00447 (Beilstein Handbook Reference), Angelicin, analytical standard, SCHEMBL376379, furano[2,3-h]chromen-8-one, Furo(5',4',7,8)coumarin, Furo[2,3-h]benzopyran-2-one, CTK1H0609, pyrano[6,5-e]benzofuran-2-one, ZINC73700, DTXSID00200321, MolPort-002-508-765, XDROKJSWHURZGO-UHFFFAOYSA-N, 2-furo[2,3-h][1]benzopyranone, HMS1645D18, HY-N0763, 2H-Furo[2,3-H]chromen-2-one #, BDBM50331545, FCH834801, MFCD00064930, NSC404563, AKOS006281380, API0000385, CS-3754, Furo[2,3-h]chromen-2-one(angelicin), MCULE-7782406452, NSC-404563, KS-00000N78, 4CN-1218, AJ-10295, AK111279, AN-45545, AS-35334, CC-29702, LS-70688, SC-47357, ST023306, ZB002644, AB0019705, AX8077901, KB-230742, TR-018581, FT-0603446, N1883, ST24041054, V0167, C09060, W-2783, 523I502, A829042, C-07477, 4-Hydroxy-5-benzofuranacrylic acid .gamma.-lactone, Angelicin plus ultraviolet A radiation [Angelicins], I06-0550, 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid .gamma.-lactone, 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, .delta.-lactone, InChI=1/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6, 39310-13-9