ML204   Click here for help

GtoPdb Ligand ID: 4255

Compound class: Synthetic organic
Comment: ML204 is a dual inhibitor of TRPC4 and TRPC5 channels [1-2]. Although it is sometimes referred to as being selective for TRPC4, it exhibits only 9-fold preference for TRPC4 compared to TRPC5.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 16.13
Molecular weight 226.15
XLogP 4.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cc(nc2c1cccc2)N1CCCCC1
Isomeric SMILES Cc1cc(nc2c1cccc2)N1CCCCC1
InChI InChI=1S/C15H18N2/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChI Key USYRQXDHKXGTCK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-methyl-2-(piperidin-1-yl)quinoline
Database Links Click here for help
CAS Registry No. 5465-86-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1459962
GtoPdb PubChem SID 178101072
PubChem CID 230710
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Tocris
ML 204
Cat. No. 4732