VU0422288   Click here for help

GtoPdb Ligand ID: 10239

Synonyms: ML 396 | ML-396 | ML396 | VU 0422288 | VU-0422288
Compound class: Synthetic organic
Comment: Group III mGlu receptor positive allosteric modulator.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 64.11
Molecular weight 359.02
XLogP 4.03
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(nc1)Oc1ccc(cc1Cl)NC(=O)c1ccccn1
Isomeric SMILES Clc1ccc(nc1)Oc1ccc(cc1Cl)NC(=O)c1ccccn1
InChI InChI=1S/C17H11Cl2N3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14/h1-10H,(H,22,23)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu8 receptor Hs Allosteric modulator Positive 6.7 pKB - 1
pKB 6.7 [1]