ML130

Ligand id: 8887

Name: ML130

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 86.36
Molecular weight 287.07
XLogP 4.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
Synonyms
compound 1c [PMID: 22003428] [2] | ML-130 | Noditinib-1
Comments
ML130 is reported as a selective inhibitor of the pattern recognition receptor, NOD1 (nucleotide-binding oligomerization domain containing 1) [1-2].
Database Links
BindingDB Ligand 59542
CAS Registry No. 799264-47-4
ChEMBL Ligand CHEMBL1412853
GtoPdb PubChem SID 310264668
PubChem CID 1088438
Search Google for chemical match using the InChIKey SRFABRWQVPCPRG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SRFABRWQVPCPRG
Search UniChem for chemical match using the InChIKey SRFABRWQVPCPRG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SRFABRWQVPCPRG

Product suppliers

Tocris
ML 130
Cat. No. 4354