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

References
1. Dale T, Clarke PA, Esdar C, Waalboer D, Adeniji-Popoola O, Ortiz-Ruiz MJ, Mallinger A, Samant RS, Czodrowski P, Musil D et al.. (2015)
A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat. Chem. Biol.11 (12): 973-80. [PMID:26502155]
2. Mallinger A, Crumpler S, Pichowicz M, Waalboer D, Stubbs M, Adeniji-Popoola O, Wood B, Smith E, Thai C, Henley AT et al.. (2015)
Discovery of potent, orally bioavailable, small-molecule inhibitors of WNT signaling from a cell-based pathway screen.
J. Med. Chem.58 (4): 1717-35. [PMID:25680029]