compound 14k [PMID: 21982499]   

GtoPdb Ligand ID: 8214

Compound class: Synthetic organic
Comment: Compound 14k was identified as a potent dual inhibitor of Pim1 and Pim2 [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 79.38
Molecular weight 372.09
XLogP 5.68
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccccc1Nc1nc2c(cccc2c2c1ccnc2)c1[nH]cnn1
Isomeric SMILES Clc1ccccc1Nc1nc2c(cccc2c2c1ccnc2)c1[nH]cnn1
InChI InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
InChI Key WNOHFJIMKSDPHP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
Database Links
BindingDB Ligand 50357587
ChEMBL Ligand CHEMBL1915438
GtoPdb PubChem SID 249565894
PubChem CID 44222958
Search Google for chemical match using the InChIKey WNOHFJIMKSDPHP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WNOHFJIMKSDPHP
Search UniChem for chemical match using the InChIKey WNOHFJIMKSDPHP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WNOHFJIMKSDPHP