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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
ML 396 | ML-396 | ML396 | VU 0422288 | VU-0422288
Database Links Click here for help
Specialist databases
GPCRdb Ligand VU0422288
Other databases
CAS Registry No. 1630936-95-6
GtoPdb PubChem SID 381744921
PubChem CID 73058507
Search Google for chemical match using the InChIKey MZRLPXFGQKQHST-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MZRLPXFGQKQHST
UniChem Compound Search for chemical match using the InChIKey MZRLPXFGQKQHST-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey MZRLPXFGQKQHST-UHFFFAOYSA-N

Product suppliers

View disclaimer

VU 0422288 (links to external site)
Cat. No. 5378