PF06260933   Click here for help

GtoPdb Ligand ID: 13265

Synonyms: compound 16 [PMID: 26617966] | PF-06260933 | PF-6260933
Compound class: Synthetic organic
Comment: PF06260933 is an inhibitor of mitogen-activated protein kinase kinase kinase kinases (MAP4Ks). It has been used to explore the role of MAP4Ks in neurite outgrowth and synaptogenesis [3]. MAP4Ks have been identified as therapeutic targets for amyotrophic lateral sclerosis (ALS) [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 76.76
Molecular weight 296.75
XLogP -0.01
No. Lipinski's rules broken 0
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Canonical SMILES C1=C(C=CC(=C1)Cl)C2=C(N)N=CC(=C2)C3=CN=C(C=C3)N
Isomeric SMILES C1=CC(=CC=C1C2=C(N=CC(=C2)C3=CN=C(C=C3)N)N)Cl
InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 16 [PMID: 26617966] | PF-06260933 | PF-6260933
Database Links Click here for help
BindingDB Ligand 50134771
CAS Registry No. 1811510-56-1 (source: PubChem)
ChEMBL Ligand CHEMBL3754515
GtoPdb PubChem SID 491300047
PubChem CID 118701008
Search Google for chemical match using the InChIKey KHPCIHZXOGHCLY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KHPCIHZXOGHCLY
UniChem Compound Search for chemical match using the InChIKey KHPCIHZXOGHCLY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KHPCIHZXOGHCLY-UHFFFAOYSA-N