AC1903   Click here for help

GtoPdb Ligand ID: 10290

Synonyms: AC-1903
Compound class: Synthetic organic
Comment: AC1903 is small-molecule inhibitor of TRPC5 ion channels that has demonstrated in vivo activity [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 42.99
Molecular weight 303.14
XLogP 3.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc(cc1)Cn1c(NCc2ccco2)nc2c1cccc2
Isomeric SMILES c1ccc(cc1)Cn1c(NCc2ccco2)nc2c1cccc2
InChI InChI=1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
InChI Key OECUWHDVQIITIS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
Synonyms Click here for help
AC-1903
Database Links Click here for help
BindingDB Ligand 49021
CAS Registry No. 831234-13-0 (source: PubChem)
ChEMBL Ligand CHEMBL1345058
GtoPdb PubChem SID 381744971
PubChem CID 667146
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Tocris
AC 1903
Cat. No. 6766