Drug Information

Drug General Information
Drug ID
D0K8ZD
Former ID
DNC006070
Drug Name
FVPTDVG-Tic-FAF-Tic
Indication Discovery agent Investigative [527974]
Structure
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2D MOL

3D MOL
Formula
C75H92N12O16
Canonical SMILES
CC(C)C(C(=O)NCC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=CC=C<br />3)C(=O)NC(C)C(=O)NC(CC4=CC=CC=C4)C(=O)N5CC6=CC=CC=C6CC5<br />C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C7CCCN7C(=O)<br />C(C(C)C)NC(=O)C(CC8=CC=CC=C8)N
InChI
1S/C75H92N12O16/c1-42(2)62(82-68(95)55(38-61(90)91)80-72(99)64(45(6)88)84-69(96)57-31-20-32-85(57)74(101)63(43(3)4)83-66(93)53(76)33-46-21-10-7-11-22-46)71(98)77-39-60(89)86-40-51-29-18-16-27-49(51)36-58(86)70(97)79-54(34-47-23-12-8-13-24-47)67(94)78-44(5)65(92)81-56(35-48-25-14-9-15-26-48)73(100)87-41-52-30-19-17-28-50(52)37-59(87)75(102)103/h7-19,21-30,42-45,53-59,62-64,88H,20,31-41,76H2,1-6H3,(H,77,98)(H,78,94)(H,79,97)(H,80,99)(H,81,92)(H,82,95)(H,83,93)(H,84,96)(H,90,91)(H,102,103)/t44-,45+,53-,54-,55-,56-,57-,58?,59?,62-,63-,64-/m0/s1
InChIKey
LZESRBNZLWMEIJ-RALCEBPYSA-N
PubChem Compound ID
44406796
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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