AM-0902   Click here for help

GtoPdb Ligand ID: 10276

Synonyms: AM0902 | compound 27 [PMID: 26942860]
Compound class: Synthetic organic
Comment: AM-0902 acts as an antagonist of the TRPA1 cation channel [1]. It has demonstrated blockade of activation of human and rat TRPA1 channels, and can be used to investigate TRPA1 function in vitro and in vivo.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 91.63
Molecular weight 370.09
XLogP 2.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)CCc1noc(n1)Cn1cnc2c(c1=O)n(C)cn2
Isomeric SMILES Clc1ccc(cc1)CCc1noc(n1)Cn1cnc2c(c1=O)n(C)cn2
InChI InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3
InChI Key AWJBWNUUODWOKQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
Synonyms Click here for help
AM0902 | compound 27 [PMID: 26942860]
Database Links Click here for help
BindingDB Ligand 50157631
CAS Registry No. 1883711-97-4 (source: PubChem)
ChEMBL Ligand CHEMBL3785736
GtoPdb PubChem SID 381744957
PubChem CID 73297271
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Tocris
AM 0902
Cat. No. 5914