MLN-120B

Ligand id: 5694

Name: MLN-120B

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 79.9
Molecular weight 366.09
XLogP 2.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl}-2-methylpyridine-3-carboxamide
Synonyms
ML120B | MLN120B
Database Links
CAS Registry No. 783348-36-7
ChEMBL Ligand CHEMBL608154
PubChem CID 9929127
Search Google for chemical match using the InChIKey ZNOLRTPMNMPLHY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZNOLRTPMNMPLHY
Search UniChem for chemical match using the InChIKey ZNOLRTPMNMPLHY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZNOLRTPMNMPLHY
Comments
MLN-120B is an experimental, selective small molecule inhibitor of IKKβ (IKK2) [2-3].