Drug Information

Drug General Information
Drug ID
D0B8HD
Former ID
DNC006068
Drug Name
FVPTDVGPFAF
Indication Discovery agent Investigative [527974]
Formula
C60H81N11O15
Canonical SMILES
CC(C)C(C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(<br />C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C<br />(C)O)NC(=O)C4CCCN4C(=O)C(C(C)C)NC(=O)C(CC5=CC=CC=C5)N
InChI
1S/C60H81N11O15/c1-33(2)48(67-54(79)42(31-47(74)75)65-58(83)50(36(6)72)69-56(81)45-25-17-27-71(45)59(84)49(34(3)4)68-52(77)40(61)28-37-18-10-7-11-19-37)57(82)62-32-46(73)70-26-16-24-44(70)55(80)64-41(29-38-20-12-8-13-21-38)53(78)63-35(5)51(76)66-43(60(85)86)30-39-22-14-9-15-23-39/h7-15,18-23,33-36,40-45,48-50,72H,16-17,24-32,61H2,1-6H3,(H,62,82)(H,63,78)(H,64,80)(H,65,83)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,74,75)(H,85,86)/t35-,36+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
InChIKey
COFTYEBEOOYCDC-KTHKGSMISA-N
PubChem Compound ID
44274033
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.