Drug Information

Drug General Information
Drug ID
D0E7CV
Former ID
DNC006071
Drug Name
FVATDVGPFAF
Indication Discovery agent Investigative [527974]
Structure
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2D MOL

3D MOL
Formula
C58H79N11O15
Canonical SMILES
CC(C)C(C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(<br />C(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C<br />)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=CC=C4)N
InChI
1S/C58H79N11O15/c1-31(2)46(67-53(78)41(29-45(72)73)64-57(82)48(35(7)70)68-50(75)34(6)62-56(81)47(32(3)4)66-51(76)39(59)26-36-18-11-8-12-19-36)55(80)60-30-44(71)69-25-17-24-43(69)54(79)63-40(27-37-20-13-9-14-21-37)52(77)61-33(5)49(74)65-42(58(83)84)28-38-22-15-10-16-23-38/h8-16,18-23,31-35,39-43,46-48,70H,17,24-30,59H2,1-7H3,(H,60,80)(H,61,77)(H,62,81)(H,63,79)(H,64,82)(H,65,74)(H,66,76)(H,67,78)(H,68,75)(H,72,73)(H,83,84)/t33-,34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1
InChIKey
WMTZDAHGKCEIAT-ILJNECBNSA-N
PubChem Compound ID
44406786
Target and Pathway
Target(s) Calcitoningene-related peptide type 1 receptor Target Info Inhibitor [527974]
KEGG Pathway Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Reactome G alpha (s) signalling events
Calcitonin-like ligand receptors
WikiPathways GPCRs, Class B Secretin-like
Endothelin Pathways
GPCR ligand binding
GPCR downstream signaling
References
Ref 527974J Med Chem. 2006 Jan 26;49(2):616-24.Identification of the key residue of calcitonin gene related peptide (CGRP) 27-37 to obtain antagonists with picomolar affinity at the CGRP receptor.
Ref 527974J Med Chem. 2006 Jan 26;49(2):616-24.Identification of the key residue of calcitonin gene related peptide (CGRP) 27-37 to obtain antagonists with picomolar affinity at the CGRP receptor.

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