CCT251545

Ligand id: 8945

Name: CCT251545

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.05
Molecular weight 421.17
XLogP 2.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
Database Links
GtoPdb PubChem SID 310264726
PubChem CID 77050682
RCSB PDB Ligand 4TV
Search Google for chemical match using the InChIKey LBFYQISQYCGDDW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LBFYQISQYCGDDW
Search UniChem for chemical match using the InChIKey LBFYQISQYCGDDW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LBFYQISQYCGDDW
Comments
CCT251545 is a small molecule inhibitor of WNT signalling [2]. The molecular targets of CCT251545 are the protein kinases CDK8 and CDK19 [1]. This is a type I inhibitor, binding in a DMG-in mode.