MW150   Click here for help

GtoPdb Ligand ID: 10524

Synonyms: compound 11 [PMID: 30978288] | compound 27 [WO2014145485A2] | compound 8 [PMID: 25676389] | MW-150 | MW01-18-150SRM
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: MW150 is a novel, pharmacologically selective p38α MAP kinase (MAPK14) inhibitor [2-3]. It is CNS-penetrant and is being pursued as a clinical lead for neurological disorders. MW150 is claimed in patent WO2014145485A2 that was filed by The Trustees Of Columbia University In The City Of New York [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 45.15
Molecular weight 381.2
XLogP 4.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)c1nnc(c(c1)c1ccncc1)c1ccc2c(c1)cccc2
Isomeric SMILES CN1CCN(CC1)c1nnc(c(c1)c1ccncc1)c1ccc2c(c1)cccc2
InChI InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3
InChI Key CIIVUDIZZJLXCN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine
Synonyms Click here for help
compound 11 [PMID: 30978288] | compound 27 [WO2014145485A2] | compound 8 [PMID: 25676389] | MW-150 | MW01-18-150SRM
Database Links Click here for help
CAS Registry No. 1628502-91-9 (source: PubChem)
GtoPdb PubChem SID 387065606
PubChem CID 86270361
RCSB PDB Ligand 3GF
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