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

CHEMBL149956

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(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCCCC4)cccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149956
Phase Preclinical
Structure Type MOL
InChI Key PHXVVRNNJLOUIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.72
ALogP
5
HBA
2
HBD
87.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O3
MW 416.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 6.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 2/cyclin E
CHEMBL2094126
 IC50 6.73 6.73 185.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 2/cyclin E IC50 = 185.0 nM 6.73 Compound was evaluated for inhibition of Cyclin-dependent kinase 2-cyclin E 12431050

Literature References

PubMed DOI Target Context # Activities
12431050 10.1021/jm020171+ Cyclin-dependent kinase 4/cyclin D1 1
12431050 10.1021/jm020171+ Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine