NG-25

Ligand id: 8074

Name: NG-25

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 73.49
Molecular weight 537.24
XLogP 5.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
Synonyms
NG25
Database Links
CAS Registry No. 1315355-93-1
PubChem CID 53340664
RCSB PDB Ligand NG2
Search Google for chemical match using the InChIKey SMPGEBOIKULBCT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SMPGEBOIKULBCT
Search UniChem for chemical match using the InChIKey SMPGEBOIKULBCT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SMPGEBOIKULBCT
SynPHARM 81137 (in complex with mitogen-activated protein kinase kinase kinase 7)
Comments
NG-25 is an experimental inhibitor of several protein kinease, including mitogen-activated protein kinase kinase kinase 7 (TAK1, aka TGF-β-activated kinase 1), but it is not selective. Results from a screening set are provided by Tan et al (2015) [2].