compound 13d [PMID: 23639540]

Ligand id: 8120

Name: compound 13d [PMID: 23639540]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 55.55
Molecular weight 407.17
XLogP 4.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
Database Links
BindingDB Ligand 50434752
ChEMBL Ligand CHEMBL2385582
GtoPdb PubChem SID 249565800
PubChem CID 60182389
Search Google for chemical match using the InChIKey SZVLDZCYMADNPG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SZVLDZCYMADNPG
Search UniChem for chemical match using the InChIKey SZVLDZCYMADNPG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SZVLDZCYMADNPG
Comments
The discovery of compound 13d is reported in [1], a medicinal chemistry study to identify selective bone morphogenetic protein receptor (BMP) inhibitors. Compound 13d inhibits all of the Type I receptor serine/threonine kinases to a greater or lesser extent, but is most potent at ALK1 (ACVRL1) and ALK2 (ACVR1) which are activin receptor components, and ALK3 (BMPR1A) and ALK6 (BMPR1B) which are bone morphogenetic protein receptors.