"N Liu"
"R Robert"
"J Liao"
"C Pavel"
"GW Carlile"
"JW Hanrahan"
"Y Luo"
"DY Thomas"
"SM Anjos"
"D Zhang"
Below you will find all the structures identified in the publication. Be warned that this does not imply any activity.
n=7
ID: 13
InChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-N
SMILES: CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment ER & Golgi (Translation, quality control, trafficking, PTM)
CID is
5212
synonyms found at PubChem are:
sildenafil, 139755-83-2, Revatio, VIAGRA, Sildenafil [INN:BAN], UK-92480, UNII-3M7OB98Y7H, Aphrodil (TN), Sildenafil (INN), UK-92,480-10, C22H30N6O4S, HSDB 7305, CHEMBL192, 3M7OB98Y7H, CHEBI:9139, UK 92480-10, 1-((3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine, BNRNXUUZRGQAQC-UHFFFAOYSA-N, Caverta, 5-(2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one, NCX-911, Revatio (TN), Viagra (TN), 1-((3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate, 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one, 5-{2-(ethyloxy)-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, Piperazine, 1-((3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-, SMR000752512, 171599-83-0 (citrate), SR-05000001934, NCGC00159496-02, mysildecard, Aphrodil, Vizarsin, Rhucin, Sildenafil#, 1udt, 1xos, 1-[[3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-methylpiperazine, 5-(2-ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-(4-methylpiperazinylsulfonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo(4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-(4-methylpiperazinylsulfonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, Rhucin (TN), Spectrum_001555, SpecPlus_000798, AC1L1JUI, Spectrum2_001648, Spectrum3_001892, Spectrum4_000586, Spectrum5_001508, D08KTT, D0Z7ZM, Cambridge id 7030299, SCHEMBL1895, BSPBio_003424, KBioGR_001052, KBioSS_002035, MLS001240224, MLS001304737, MLS006011565, BIDD:GT0352, DivK1c_006894, SPECTRUM1504099, SPBio_001775, GTPL4743, SCHEMBL5795456, SCHEMBL8100377, Jsp002373, DTXSID6023579, BDBM14390, KBio1_001838, KBio2_002035, KBio2_004603, KBio2_007171, KBio3_002927, KS-00000XMX, 2h42, MolPort-002-885-861, HMS1684K08, HMS1922B19, HMS2089M12, HMS2093O17, HMS2233L22, HMS3372N07, HMS3715P17, Sildenafil 1.0 mg/ml in Methanol, ACT02662, BCP05337, AC-938, CCG-21806, CCG-39076, s4684, STL483201, STL483720, ZINC19796168, AKOS008901403, AKOS025397193, CS-1577, DB00203, MCULE-2481702478, NCGC00095099-01, NCGC00095099-02, NCGC00095099-03, NCGC00095099-04, NCGC00370976-03, 5-(2-ethoxy-5-(4-methylpiperazin-1-ylsulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one, AN-15436, AS-48884, BAS 04213629, BC202768, HY-15025, M901, SC-83326, SMR004703325, SBI-0051920.P002, AB0015440, LS-111655, FT-0601554, C07259, D08514, W-2194, AB00052444-02, AB00052444-03, AB00052444_04, AB00052444_05, 755S832, SR-01000504734, I06-0023, J-007309, SR-01000504734-1, SR-05000001934-1, SR-05000001934-2, BRD-K50128260-001-01-6, BRD-K79759585-001-02-1, BRD-K79759585-048-01-4, 4-((4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydr, Z1522567175, Sildenafil solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, 5-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-1-methyl-3-propyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one (Sildenafil or Viagra), 5-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-1-methyl-3-propyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one(Sildenafil), 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-Ethoxy-5-(4-methylpiperazin-1-ylsulfonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-Ethoxy-5-(4-methylpiperazin-1-ylsulfonyl)phenyl]-1-methyl-3-n-propyl-1.6-dihydro-7H-pyrazolo[4,3-d]Pyrimidin-7-one, 5-[2-ethoxy-5-(4-methylpiperazine-1-sulfonyl)phenyl]-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one, 5-{2-ethoxy-5-[(4-methylpiperazine-1-)sulfonyl]phenyl}-1-methyl-3-propyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
ID: 1143
InChIKey: KBUKUKLNLPJWCO-UHFFFAOYSA-N
SMILES: C1CN(CCN1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
2747481
synonyms found at PubChem are:
1-(benzenesulfonyl)-4-(2-phenoxyethyl)piperazine, MixCom1_000005, AC1MCMVR, AC1Q6VJV, Maybridge1_000005, Oprea1_668388, MolPort-001-841-346, ZINC19924752, AKOS008690847, MCULE-4730077666, Z46248350, 876686-44-1
ID: 1250
InChIKey: LCOLXNYRAYSOSS-UHFFFAOYSA-N
SMILES: CC1C2=CC(=C(C=C2CCN1S(=O)(=O)C3=CN(C(=N3)C)C)OC)OC
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
2812733
synonyms found at PubChem are:
AC1MDKSJ, Oprea1_613690, MLS000850277, AC1Q470D, CHEMBL1715865, MolPort-001-807-960, HMS2781E12, CCG-51849, MCULE-4302786397, 2-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline, SMR000456295, SR-01000641125-1, 2-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline, 2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
ID: 1260
InChIKey: LGBHNNGNTSGBAA-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
668965
synonyms found at PubChem are:
83863-44-9, 1-(2-Methoxyphenyl)-4-(p-tolylsulphonyl)piperazine, 1-(2-methoxyphenyl)-4-[(4-methylphenyl)sulfonyl]piperazine, 1-(2-methoxyphenyl)-4-(p-tolylsulfonyl)piperazine, EINECS 281-107-1, AC1LDLAA, BAS 00451426, Oprea1_277459, Oprea1_847731, ZINC29412, DTXSID30232756, MolPort-000-556-285, STK071381, AKOS000579076, 1-(2-Methoxyphenyl)-4-tosylpiperazine, MCULE-2377838737, UPCMLD0ENAT5802974:001, ST042463, KB-213254, AG-205/36815005, SR-01000514976, SR-01000514976-1, 1-(2-Methoxy-phenyl)-4-(toluene-4-sulfonyl)-piperazine, 1-(2-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine, A1271/0058149
ID: 712
InChIKey: GIEHIZKCIZLXLF-UHFFFAOYSA-N
SMILES: C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
1241327
synonyms found at PubChem are:
KM11060, 774549-97-2, KM 11060, KM-11060, 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline, 7-Chloro-4-[4-[4-chlorophenyl)sulfonyl]-1-piperazinyl]quinoline, 7-chloro-4-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)quinoline, 7-chloro-4-{4-[(4-chlorobenzene)sulfonyl]piperazin-1-yl}quinoline, 7-chloro-4-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}quinoline, AC1LOJDH, AC1Q3JAI, D06TCC, Oprea1_790000, GTPL4234, CHEMBL1905600, SCHEMBL15774887, CTK8E8287, KS-00000TTX, DTXSID40361304, MolPort-001-608-277, BCP17185, ZINC1040357, CCG-44815, STK206351, AKOS000424630, CS-5499, MCULE-1021162800, NCGC00378786-01, HY-19970, RT-013447, B7286, KM11060, >=98% (HPLC), SR-01000634629-1, BRD-K32856097-001-01-4, Z31097998, 7-Chloro-4-[4-(4-chloro-benzenesulfonyl)-piperazin-1-yl]-quinoline, 7-chloro-4-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]quinoline
ID: 2787
InChIKey: ZCYCZDZSEDMTRV-UHFFFAOYSA-N
SMILES: C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
703841
synonyms found at PubChem are:
334973-48-7, 4-CHLORO-1-((4-PYRIMIDIN-2-YLPIPERAZINYL)SULFONYL)BENZENE, 2-{4-[(4-chlorophenyl)sulfonyl]piperazino}pyrimidine, 2-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]pyrimidine, 2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}pyrimidine, 4-chloro-1-[(4-pyrimidin-2-ylpiperazinyl)sulfonyl]benzene, AC1LDZAN, Cambridge id 7242062, Oprea1_446286, MLS000626846, SCHEMBL5251664, CHEMBL1882279, CTK6H0916, ZINC87272, MolPort-001-545-940, HMS2688D22, CCG-24345, STK441472, AKOS001689286, MCULE-2186472217, MS-7569, KS-0000296C, SMR000299226, ZB003126, ST50927795, AB00040178-01, BRD-K73961382-001-08-1, Z31098000, 2-(4-(4-chlorophenylsulfonyl)piperazin-1-yl)pyrimidine, 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrimidine, 2-{4-[(4-chlorophenyl)sulfonyl]-1-piperazinyl}pyrimidine
ID: 1832
InChIKey: QJRPMZWTWYPYKW-UHFFFAOYSA-N
SMILES: C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=CC=C4
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
1241326
synonyms found at PubChem are:
7-chloro-4-[4-(phenylsulfonyl)piperazin-1-yl]quinoline, Maybridge3_004220, 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloroquinoline, AC1LOJDE, AC1Q3KOH, Oprea1_139680, MLS000693854, CHEMBL1335718, SCHEMBL15775046, MolPort-001-593-801, HMS1442P18, HMS2650M11, STK171914, ZINC18271087, AKOS000425640, KM11057, MCULE-4594820108, IDI1_015607, SMR000300227, 4-(4-Benzenesulfonyl-piperazin-1-yl)-7-chloro-quinoline, 7-chloro-4-[4-(phenylsulfonyl)-1-piperazinyl]quinoline, 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloro-quinoline, 708238-13-5
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