Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03RYY
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| Former ID |
DIB020567
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| Drug Name |
NPC-349
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| Synonyms |
[D-Arg0,Hyp2,3,Thi5,8,D-Phe7]bradykinin; NPC 349
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C56H83N19O13S2
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| Canonical SMILES |
C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)C(CCN=C(N)N)C(C(=O)CNC(=O)C2CC(CN2)O)(C(=O)O)N(C(=O)C(CC3=CC=CS3)N)C(=O)C(CC4=CC=CC=C4)NC(=O)C(CO)NC(=O)C(CC5=CC=CS5)N
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| InChI |
1S/C56H83N19O13S2/c57-35(13-4-17-66-53(60)61)45(80)71-38(14-5-18-67-54(62)63)50(85)74-20-6-15-42(74)44(79)34(16-19-68-55(64)65)56(52(87)88,43(78)28-70-47(82)39-24-31(77)27-69-39)75(49(84)37(59)26-33-12-8-22-90-33)51(86)40(23-30-9-2-1-3-10-30)72-48(83)41(29-76)73-46(81)36(58)25-32-11-7-21-89-32/h1-3,7-12,21-22,31,34-42,69,76-77H,4-6,13-20,23-29,57-59H2,(H,70,82)(H,71,80)(H,72,83)(H,73,81)(H,87,88)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,34?,35-,36+,37+,38+,39+,40-,41+,42+,56-/m1/s1
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| InChIKey |
MHBUKMPYIGAURU-WIDHDRDXSA-N
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| CAS Number |
CAS 103412-42-6
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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: 675). | |||
| REF 2 | Differential pharmacology of cloned human and mouse B2 bradykinin receptors. Mol Pharmacol. 1994 Jan;45(1):1-8. | |||
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