ML347

Ligand id: 8121

Name: ML347

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 52.31
Molecular weight 352.13
XLogP 4.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Synonyms
ML-347
Database Links
BindingDB Ligand 50261979
CAS Registry No. 1062368-49-3
ChEMBL Ligand CHEMBL502351
PubChem CID 44577753
Search Google for chemical match using the InChIKey FVRYPYDPKSZGNS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FVRYPYDPKSZGNS
Search UniChem for chemical match using the InChIKey FVRYPYDPKSZGNS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FVRYPYDPKSZGNS
Comments
ML347 is a selective inhibitor of ALK2 (activin A receptor, type I, ACVR1) compared to ALK3 (bone morphogenetic protein receptor, type IA , BMPR1A) [1].