Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0C3KW
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| Former ID |
DNC004601
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| Drug Name |
H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-OH(JMV1645)
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| Synonyms |
H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-OH(JMV1645); CHEMBL405182
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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 |
C49H69N13O12S
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| Canonical SMILES |
C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)C(=O)N2CC(CC2C(=O)NCC(=O)NC(C3CC4=CC=CC=C4C3)C(=O)NC(CO)C(=O)NC5CSC6=CC=CC=C6N(C5=O)CC(=O)O)O
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| InChI |
1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32-,33+,34-,36+,37+,41?/m1/s1
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| InChIKey |
DSKXSKYPLRUWNI-XISDYZNSSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and biological evaluation of bradykinin B(1)/B(2) and selective B(1) receptor antagonists. J Med Chem. 2000 Jun 15;43(12):2382-6. | |||
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