Drug Information

Drug General Information
Drug ID
D03WBD
Former ID
DNC006073
Drug Name
FV-Hyp-TDVGPFAF
Indication Discovery agent Investigative [527974]
Structure
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2D MOL

3D MOL
Formula
C60H81N11O16
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)C4CC(CN4C(=O)C(C(C)C)NC(=O)C(CC5=CC=CC=C5)N)<br />O
InChI
1S/C60H81N11O16/c1-32(2)48(57(83)62-30-46(74)70-24-16-23-44(70)55(81)64-41(26-37-19-12-8-13-20-37)53(79)63-34(5)51(77)66-43(60(86)87)27-38-21-14-9-15-22-38)67-54(80)42(29-47(75)76)65-58(84)50(35(6)72)69-56(82)45-28-39(73)31-71(45)59(85)49(33(3)4)68-52(78)40(61)25-36-17-10-7-11-18-36/h7-15,17-22,32-35,39-45,48-50,72-73H,16,23-31,61H2,1-6H3,(H,62,83)(H,63,79)(H,64,81)(H,65,84)(H,66,77)(H,67,80)(H,68,78)(H,69,82)(H,75,76)(H,86,87)/t34-,35+,39?,40-,41-,42-,43-,44-,45?,48-,49-,50-/m0/s1
InChIKey
RYURPNQKLUHMSX-UMVLOEMMSA-N
PubChem Compound ID
44406775
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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