Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09RIE
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| Former ID |
DNC013177
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| Drug Name |
D[Cha4]AVP
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| Synonyms |
d[Cha4]AVP; CHEMBL265858; BDBM50205312
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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 |
C50H71N13O11S2
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| Canonical SMILES |
C1CCC(CC1)CC2C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N5CCCC5C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N
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| InChI |
1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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| InChIKey |
ZKYCVZNKBXGNEK-ZTYVOHGWSA-N
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| PubChem Compound 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: 2187). | |||
| REF 2 | Design and synthesis of the first selective agonists for the rat vasopressin V(1b) receptor: based on modifications of deamino-[Cys1]arginine vasop... J Med Chem. 2007 Feb 22;50(4):835-47. | |||
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