"M Zacchigna"
"M Giampieri"
"P Fossa"
"N Pedemonte"
"F Cateni"
"LJ Galietta"
"M Mazzei"
"MT Mazzei"
Below you will find all the structures identified in the publication. Be warned that this does not imply any activity.
n=19
ID: 1
InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment several
CID is
5280961
synonyms found at PubChem are:
genistein, 446-72-0, Prunetol, Genisteol, 4',5,7-Trihydroxyisoflavone, Genisterin, Sophoricol, 5,7,4'-Trihydroxyisoflavone, 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, Bonistein, Genestein, Differenol A, NPI 031L, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, C.I. 75610, SIPI 807-1, 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one, UNII-DH2M523P0H, NSC 36586, 4,5,7-Trihydroxyiso-flavone, Lactoferrin-genistein, CCRIS 7675, 4',5, 7-Trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, NSC36586, CHEMBL44, EINECS 207-174-9, IN1327, BRN 0263823, PTI G4660 (Genistein), ISOFLAVONE, 4',5,7-TRIHYDROXY-, MLS000738127, DH2M523P0H, STO514, CHEBI:28088, PTI-G4660, SIPI-9764-I, TZBJGXHYKVUXJN-UHFFFAOYSA-N, 4′,5,7-Trihydroxyisoflavone, TNP00151, NSC-36586, GENISTEIN (ENDOCRINE DISRUPTER), GEN, NCGC00015479-09, DSSTox_CID_2308, G 6649, G10000, DSSTox_RID_76542, DSSTox_GSID_22308, ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0)), CAS-446-72-0, SR-01000075498, HSDB 7475, PTI G4660, 3kgt, 3kgu, 4&prime, Genistein, 8, Genistein,(S), PTI-G 4660, Genistein (flavonoid), PubChem9852, Spectrum_000320, Tocris-1110, 1x7r, 2qa8, Genistein 85% HPLC, SpecPlus_000305, AC1NQXT4, Spectrum2_000638, Spectrum3_000678, Spectrum4_001543, Spectrum5_000106, Lopac-G-6649, 4',7-Trihydroxyisoflavone, D0L4FS, MolMap_000022, UPCMLD-DP096, 4,5,7-Trihydroxyisoflavone, 4,6,7-Trihydroxyisoflavone, Isoflavone,5,7-trihydroxy-, Lopac0_000520, Oprea1_224620, Oprea1_437815, SCHEMBL19166, BSPBio_002375, KBioGR_002006, KBioGR_002564, KBioSS_000800, KBioSS_002573, SPECTRUM210296, 5-18-04-00594 (Beilstein Handbook Reference), BIDD:ER0113, DivK1c_006401, Genistein, analytical standard, SPBio_000636, 4',5,7-Trihydroxy isoflavone, 4',5,7-trihydroxy-Isoflavone, GTPL2826, MEGxp0_000568, 4,5,7-Trihydroxy Iso-Flavone, DTXSID5022308, UPCMLD-DP096:001, ACon1_001065, BDBM19459, cid_5280961, KBio1_001345, KBio2_000800, KBio2_002564, KBio2_003368, KBio2_005132, KBio2_005936, KBio2_007700, KBio3_001595, KBio3_003042, AOB5073, CHEBI: 28088, cMAP_000086, MolPort-000-003-911, Bio1_000445, Bio1_000934, Bio1_001423, HMS2271K09, HMS3261H21, HMS3267K14, HMS3428M01, HMS3649B22, HMS3654D17, ACT05962, ALBB-015886, BCP07581, KS-00000MH8, Prunetol solution, 20 mM in DMSO, Tox21_110161, Tox21_201428, Tox21_300585, Tox21_500520, AC-472, BBL010484, CCG-38551, CG-009, Genistein solution, 20 mM in DMSO, LMPK12050218, MFCD00016952, s1342, SBB066115, STK801619, ZINC18825330, AKOS001590147, Tox21_110161_1, CS-1534, DB01645, KS-5128, LP00520, LS-1266, MCULE-4857649752, RL03694, RP29616, SMP1_000133, Genistein; 4',5,7-Trihydroxyisoflavone, NCGC00015479-01, NCGC00015479-02, NCGC00015479-04, NCGC00015479-05, NCGC00015479-06, NCGC00015479-07, NCGC00015479-08, NCGC00015479-10, NCGC00015479-11, NCGC00015479-12, NCGC00015479-13, NCGC00015479-14, NCGC00015479-15, NCGC00015479-16, NCGC00015479-17, NCGC00015479-18, NCGC00015479-19, NCGC00015479-20, NCGC00025005-01, NCGC00025005-02, NCGC00025005-03, NCGC00025005-04, NCGC00025005-05, NCGC00025005-06, NCGC00025005-07, NCGC00169711-01, NCGC00169711-02, NCGC00254275-01, NCGC00258979-01, NCGC00261205-01, 690224-00-1, AJ-70669, AN-15821, BC200563, HY-14596, KB-52241, NCI60_003369, SC-04581, SMR000112580, ST056352, AB1004490, EU-0100520, FT-0603395, G0272, N1861, Genistein, disposable screening library format, 46G720, C06563, G-2535, Genistein, synthetic, >=98% (HPLC), powder, J10015, K00046, S-7751, US8552057, 2, AB00052696_09, AB00052696_12, A826657, Genistein, primary pharmaceutical reference standard, I06-0431, Q-100484, SR-01000075498-1, SR-01000075498-3, SR-01000075498-6, 3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one, 4 inverted exclamation marka,5,7-Trihydroxyisoflavone, BRD-K43797669-001-02-3, BRD-K43797669-001-03-1, BRD-K43797669-001-10-6, Genistein, from Glycine max (soybean), ~98% (HPLC), SR-01000075498-10, 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one, F0001-2388, 4H-1-Benzopyran-4-one,7-dihydroxy-3-(4-hydroxyphenyl)-, UNII-71B37NR06D component TZBJGXHYKVUXJN-UHFFFAOYSA-N, Genistein, United States Pharmacopeia (USP) Reference Standard, Genistein, Pharmaceutical Secondary Standard; Certified Reference Material, 4 inverted exclamation marka,5,7-Trihydroxyisoflavone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
ID: 2953
InChIKey: KOSYICZFSFHGCD-UHFFFAOYSA-N
SMILES: C(C1=C(C)C=CS1)1C(C(=O)OC2=CC=CC=C2)=C(C)NC(C)=C1C(=O)OCC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
ID: 3026
InChIKey: UPIBBGPXNOPIDA-UHFFFAOYSA-N
SMILES: C(C1=C(SCC(=C)OC)C=CS1)1C(C(=O)OC2C=CC=CC=2)=C(C)NC(C)=C1C(=O)OCC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
ID: 1017
InChIKey: IXWZKSIVLFEQNZ-UHFFFAOYSA-N
SMILES: C(C1=CC=C([NH0+](=O)[OH0-])S1)1C(C(=O)OCC2=CC=CC=C2)=C(C)NC(C)=C1C(=O)OCC1=CC=CC=C1
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
46227522
synonyms found at PubChem are:
CHEMBL604890
ID: 2003
InChIKey: RRIXMDDCPQUWIO-UHFFFAOYSA-N
SMILES: C(C1=C(C)C=CS1)1C(C(=O)OCC=C)=C(C)NC(C)=C1C(=O)OCC=C
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
10833168
synonyms found at PubChem are:
CHEMBL593638, 2,6-Dimethyl-4-(3-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diallyl ester
ID: 2967
InChIKey: MFNQKAIAXLFNSY-UHFFFAOYSA-N
SMILES: C(C1=C(SCC(=C)OC)C=CS1)1C(C(=O)OC=C)=C(C)NC(C)=C1C(=O)OCC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
ID: 538
InChIKey: DYAYBCFQSRNPME-UHFFFAOYSA-N
SMILES: C(C1=CC=C([NH0+]([OH0-])=O)S1)1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
15225370
synonyms found at PubChem are:
CHEMBL594332, SCHEMBL11686041
ID: 622
InChIKey: FOJWIEHQODXJCL-UHFFFAOYSA-N
SMILES: C(C1=C(SCC(=O)OC)C=CS1)1C(C(=O)OCC2=CC=CC=C2)=C(C)NC(C)=C1C(=O)OCC1=CC=CC=C1
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
46196543
ID: 3006
InChIKey: RFPAGSRGRRCKGS-UHFFFAOYSA-N
SMILES: C(C1=C(C)C=CS1)1C(C(=O)OC=C)=C(C)NC(C)=C1C(=O)OCC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
ID: 1301
InChIKey: LQARHQHLYDRCTA-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)S1)1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
10313994
synonyms found at PubChem are:
dimethyl 2,6-dimethyl-4-(5-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate, 162229-15-4, CHEMBL609004, MolPort-028-956-834, ALBB-027588, ZX-AN051841, ZINC38482642, AKOS015997555, MCULE-6729314642, T6016, 1,4-Dihydro-2,6-dimethyl-4-(5-methylthiophen-2-yl)pyridine-3,5-dicarboxylic acid dimethyl ester, 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-thienyl)-, dimethyl ester
ID: 2495
InChIKey: WQHRFBCFNAQNOQ-UHFFFAOYSA-N
SMILES: C(C1=C(C)C=CS1)1C(C(=O)OCC2=CC=CC=C2)=C(C)NC(C)=C1C(=O)OCC1=CC=CC=C1
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
46196559
synonyms found at PubChem are:
CHEMBL593648
ID: 2722
InChIKey: YMVGDYYRAKPUNZ-UHFFFAOYSA-N
SMILES: C(C1=CC=CS1)1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
619188
synonyms found at PubChem are:
3,5-dimethyl 2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, 162229-14-3, AC1LDIMI, BAS 01152212, Oprea1_161481, Oprea1_481779, AC1Q426N, CHEMBL593872, IFLab1_001827, MolPort-000-419-206, YMVGDYYRAKPUNZ-UHFFFAOYSA-N, HMS1417D01, CCG-17230, STK861970, ZINC19418567, AKOS000531409, MCULE-8156977914, SR-01000443548, SR-01000443548-1, Z57457542, dimethyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2,6-DIMETHYL-4-THIOPHEN-2-YL-1,4-2H-PYRIDINE-3,5-DICARBOXYLIC ACID DI-ME ESTER, 4-(2-Thienyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester, dimethyl 2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
ID: 1663
InChIKey: OZMRLACVWBNMCP-UHFFFAOYSA-N
SMILES: C(C1=C(C)C=CS1)1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
698099
synonyms found at PubChem are:
Dimethyl 2,6-dimethyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, AC1LF5SF, Oprea1_032064, CHEMBL593173, MolPort-000-419-203, ZINC2480752, CCG-20387, STK809050, AKOS001669582, MCULE-9550272023, SR-01000492849, SR-01000492849-1, Z57464747, 3,5-dimethyl 2,6-dimethyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, DIMETHYL 2,6-DIMETHYL-4-(3-ME-2-THIENYL)-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE, dimethyl 2,6-dimethyl-4-(3-methylthien-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, 158778-13-3, 2,6-Dimethyl-4-(3-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
ID: 2043
InChIKey: RZAMWZFIYNLWRM-UHFFFAOYSA-N
SMILES: C(C1=C(C)C=CS1)1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
741915
synonyms found at PubChem are:
SMR000176561, AC1LEU12, Oprea1_492418, Oprea1_623849, MLS000551988, CHEMBL594099, CHEMBL1506056, MolPort-001-956-785, HMS2366P22, AKOS000531381, ZINC100098559, MCULE-7304301475, BAS 01152205, ST50562895, SR-01000425624, SR-01000425624-1, diethyl 2,6-dimethyl-4-(3-methyl-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate, diethyl 2,6-dimethyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, 2,6-Dimethyl-4-(3-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester, 2,6-Dimethyl-4-(3-methyl-thiophen-2-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester, ethyl 5-(ethoxycarbonyl)-2,6-dimethyl-4-(3-methyl(2-thienyl))-1,4-dihydropyrid ine-3-carboxylate
ID: 402
InChIKey: CYRRBQKCXWDLQE-UHFFFAOYSA-N
SMILES: C(C1=CC(C2=CC=CC=C2)=CS1)1C(C(=O)OCC=C)=C(C)NC(C)=C1C(=O)OCC=C
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
46227530
synonyms found at PubChem are:
CHEMBL606151
ID: 519
InChIKey: DTNMUOXAPMXVHZ-UHFFFAOYSA-N
SMILES: C(C1=C(SCC(=O)OC)C=CS1)1C(C(=O)OCC=C)=C(C)NC(C)=C1C(=O)OCC=C
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
46227419
synonyms found at PubChem are:
CHEMBL596405
ID: 136
InChIKey: AIUDLVZBVMKUOQ-UHFFFAOYSA-N
SMILES: C(C1=CC(C2=CC=CC=C2)=CS1)1C(C(=O)OCC2=CC=CC=C2)=C(C)NC(C)=C1C(=O)OCC1=CC=CC=C1
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
46227418
synonyms found at PubChem are:
CHEMBL603629
ID: 1048
InChIKey: JDPQWWYZTFVRDQ-UHFFFAOYSA-N
SMILES: C(C1=CC=C([NH0+]([OH0-])=O)S1)1C(C(=O)OCC=C)=C(C)NC(C)=C1C(=O)OCC=C
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
46227462
synonyms found at PubChem are:
CHEMBL604686
ID: 1812
InChIKey: QFBBWNBTECTMDL-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)O1)1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
biological descriptors:
CFTR relevance: CFTR activator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
698276
synonyms found at PubChem are:
dimethyl 2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate, 296266-88-1, dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, BAS 00297719, AC1Q5YLS, CBMicro_020811, AC1LF66X, Oprea1_267958, Oprea1_766701, MLS001044314, CHEMBL610466, CHEMBL1480279, MolPort-000-910-376, HMS2811J10, ALBB-027550, CCG-8424, ZX-AN051803, GEO-03573, STK371342, AKOS000637570, ZINC100098566, MCULE-7338743835, SMR000424958, BIM-0020799.P001, R2876, SR-01000493115, SR-01000493115-1, dimethyl 2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydro-3,5-pyridinedicarboxylate, 2,6-Dimethyl-4-(5-methyl-furan-2-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester, 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-furanyl)-, dimethyl ester
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