Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03WMY
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| Former ID |
DIB006962
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| Drug Name |
NPC-17731
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| Synonyms |
Bradykinin antagonists, Scios; NPC-16731; NPC-17761; NPC-18521; NPC-18688; NPC-18884
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| Drug Type |
Small molecular drug
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| Indication | Asthma [ICD-11: CA23; ICD-10: J45, J45.8; ICD-9: 493] | Terminated | [1], [2] | |
| Company |
Scios Inc
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| Structure |
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Download2D MOL |
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| Formula |
C59H95N19O14
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| Canonical SMILES |
CCCOC1CC(NC1)C(=O)N(C(=O)C2CC3CCCCC3N2)C(C(CCN=C(N)N)C(=O)C4CCCN4C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)(C(=O)C(CO)NC(=O)C(CC5=CC=CC=C5)NC(=O)CNC(=O)C6CC(CN6)O)C(=O)O
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| InChI |
1S/C59H95N19O14/c1-2-23-92-35-27-42(71-29-35)53(88)78(54(89)43-25-33-13-6-7-15-38(33)73-43)59(55(90)91,48(83)44(31-79)76-51(86)41(24-32-11-4-3-5-12-32)74-46(81)30-72-50(85)40-26-34(80)28-70-40)36(18-21-69-58(65)66)47(82)45-17-10-22-77(45)52(87)39(16-9-20-68-57(63)64)75-49(84)37(60)14-8-19-67-56(61)62/h3-5,11-12,33-45,70-71,73,79-80H,2,6-10,13-31,60H2,1H3,(H,72,85)(H,74,81)(H,75,84)(H,76,86)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,34?,35-,36?,37+,38-,39-,40-,41-,42+,43?,44-,45-,59-/m0/s1
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| InChIKey |
WYWZCALINPVKJW-KOCZGPIPSA-N
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| CAS Number |
CAS 147267-10-5
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 657). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007977) | |||
| REF 3 | Antinociceptive profile of the pseudopeptide B2 bradykinin receptor antagonist NPC 18688 in mice. Br J Pharmacol. 1996 Feb;117(3):552-558. | |||
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