Drug Information

Drug General Information
Drug ID
D07ZZZ
Former ID
DNC006074
Drug Name
FV-Tic-TDVGPFAF
Indication Discovery agent Investigative [527974]
Formula
C65H83N11O15
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)C4CC5=CC=CC=C5CN4C(=O)C(C(C)C)NC(=O)C(CC6=CC<br />=CC=C6)N
InChI
1S/C65H83N11O15/c1-36(2)53(62(87)67-34-51(78)75-28-18-27-49(75)60(85)69-46(30-41-21-12-8-13-22-41)58(83)68-38(5)56(81)71-48(65(90)91)31-42-23-14-9-15-24-42)72-59(84)47(33-52(79)80)70-63(88)55(39(6)77)74-61(86)50-32-43-25-16-17-26-44(43)35-76(50)64(89)54(37(3)4)73-57(82)45(66)29-40-19-10-7-11-20-40/h7-17,19-26,36-39,45-50,53-55,77H,18,27-35,66H2,1-6H3,(H,67,87)(H,68,83)(H,69,85)(H,70,88)(H,71,81)(H,72,84)(H,73,82)(H,74,86)(H,79,80)(H,90,91)/t38-,39+,45-,46-,47-,48-,49-,50?,53-,54-,55-/m0/s1
InChIKey
RFOPIEIJLKLOPX-WABOZXCQSA-N
PubChem Compound ID
44406774
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.