compound 26 [PMID: 24673130]   

GtoPdb Ligand ID: 8134

Compound class: Synthetic organic
Comment: Compound 26 is a selective inhibitor of MAP4K4 (mitogen-activated protein kinase kinase kinase kinase 4) [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 64.69
Molecular weight 240.08
XLogP 2.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1cccc(c1)c1ccc2c(n1)c(N)ncn2
Isomeric SMILES Fc1cccc(c1)c1ccc2c(n1)c(N)ncn2
InChI InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)
InChI Key TWTLUQDFSDYZKO-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
Database Links
ChEMBL Ligand CHEMBL3262587
GtoPdb PubChem SID 249565814
PubChem CID 86703914
Search Google for chemical match using the InChIKey TWTLUQDFSDYZKO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TWTLUQDFSDYZKO
Search UniChem for chemical match using the InChIKey TWTLUQDFSDYZKO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TWTLUQDFSDYZKO