Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0I2KW
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| Former ID |
DNC006072
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| Drug Name |
FV-Aib-TDVGPFAF
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| Synonyms |
[Aib29,Asp31,Pro34,Phe35]CGRP(27-37)
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C59H81N11O15
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| Canonical SMILES |
CC(C)C(C(=O)NC(C)(C)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=CC=C4)N
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| InChI |
1S/C59H81N11O15/c1-32(2)46(67-52(78)41(30-45(73)74)64-55(81)48(35(6)71)68-58(85)59(7,8)69-56(82)47(33(3)4)66-50(76)39(60)27-36-19-12-9-13-20-36)54(80)61-31-44(72)70-26-18-25-43(70)53(79)63-40(28-37-21-14-10-15-22-37)51(77)62-34(5)49(75)65-42(57(83)84)29-38-23-16-11-17-24-38/h9-17,19-24,32-35,39-43,46-48,71H,18,25-31,60H2,1-8H3,(H,61,80)(H,62,77)(H,63,79)(H,64,81)(H,65,75)(H,66,76)(H,67,78)(H,68,85)(H,69,82)(H,73,74)(H,83,84)/t34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1
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| InChIKey |
GUILBDPDYMIGBQ-GBWZQAKSSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calcitonin gene-related peptide 1 (CALCA) | Target Info | Inhibitor | [1] |
| Calcitonin gene-related peptide receptor (CGRPR) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Vascular smooth muscle contraction | ||||
| Reactome | G alpha (s) signalling events | |||
| Calcitonin-like ligand receptors | ||||
| WikiPathways | Myometrial Relaxation and Contraction Pathways | |||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Class B Secretin-like | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Identification of potent, selective, and metabolically stable peptide antagonists to the calcitonin gene-related peptide (CGRP) receptor. J Med Chem. 2008 Dec 25;51(24):7889-97. | |||
| REF 2 | 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. | |||
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