Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K8ZD
|
|||
| Former ID |
DNC006070
|
|||
| Drug Name |
FVPTDVG-Tic-FAF-Tic
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C75H92N12O16
|
|||
| Canonical SMILES |
CC(C)C(C(=O)NCC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C)C(=O)NC(CC4=CC=CC=C4)C(=O)N5CC6=CC=CC=C6CC5C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C7CCCN7C(=O)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-GKKQDZIBSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calcitonin gene-related peptide receptor (CGRPR) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Identification of the key residue of calcitonin gene related peptide (CGRP) 27-37 to obtain antagonists with picomolar affinity at the CGRP receptor. J Med Chem. 2006 Jan 26;49(2):616-24. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.