AZD1386   Click here for help

GtoPdb Ligand ID: 7820

Synonyms: AZ12457709 | AZD 1386 | AZD-1386 | KB-270807
Compound class: Synthetic organic
Comment: AZD1386 is an orally available antagonist of the transient receptor potential channel TRPV1. It acts as a competitive antagonist at the channel's capsaicin binding site .
This compound was in the AstraZeneca/MRC repurposing list from 2011
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 78.51
Molecular weight 423.06
XLogP 3.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C
Isomeric SMILES O=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C
InChI InChI=1S/C19H13ClF3N3O3/c1-9-5-12(20)7-13-14(9)26(16(28)18(13)15(27)24-17(29)25-18)8-10-3-2-4-11(6-10)19(21,22)23/h2-7H,8H2,1H3,(H2,24,25,27,29)
InChI Key DXDVSYALLVVBOV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5'-chloro-7'-methyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
Synonyms Click here for help
AZ12457709 | AZD 1386 | AZD-1386 | KB-270807
Database Links Click here for help
CAS Registry No. 946080-23-5
GtoPdb PubChem SID 223366151
PubChem CID 24752296
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