Drug Information

Drug General Information
Drug ID
D02NMK
Former ID
DNC006069
Drug Name
FVPTDVGAFAF
Indication Discovery agent Investigative [527974]
Structure
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2D MOL

3D MOL
Formula
C58H79N11O15
Canonical SMILES
CC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)<br />C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C<br />)O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)N
InChI
1S/C58H79N11O15/c1-31(2)46(55(80)60-30-44(71)61-33(5)49(74)63-40(27-37-20-13-9-14-21-37)52(77)62-34(6)50(75)65-42(58(83)84)28-38-22-15-10-16-23-38)66-53(78)41(29-45(72)73)64-56(81)48(35(7)70)68-54(79)43-24-17-25-69(43)57(82)47(32(3)4)67-51(76)39(59)26-36-18-11-8-12-19-36/h8-16,18-23,31-35,39-43,46-48,70H,17,24-30,59H2,1-7H3,(H,60,80)(H,61,71)(H,62,77)(H,63,74)(H,64,81)(H,65,75)(H,66,78)(H,67,76)(H,68,79)(H,72,73)(H,83,84)/t33-,34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1
InChIKey
SQQZSWBNZZDEAJ-ILJNECBNSA-N
PubChem Compound ID
44274034
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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