Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL527039

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(-c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL527039
Phase Preclinical
Structure Type MOL
InChI Key QNRPFMWLGIKPOS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.82
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N2O2
MW 370.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.61

Activity Summary

IC50 2 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 4/cyclin D1
CHEMBL1907601
 IC50 4.32 4.32 48000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 4/cyclin D1 IC50 = 48000.0 nM 4.32 Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retino... 18650093

Literature References

PubMed DOI Target Context # Activities
18650093 10.1016/j.bmc.2008.07.002 Cyclin-dependent kinase 4/cyclin D1 1
18650093 10.1016/j.bmc.2008.07.002 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine