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

CHEMBL373346

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
C=C1CCC(=O)N1c1ccc(C(C)C(=O)Nc2cc(C3CC3)[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373346
Phase Preclinical
Structure Type MOL
InChI Key MOSIOPGNCROISC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.67
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.86
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 C20H22N4O2
MW 350.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 2/cyclin A
CHEMBL2094128
 IC50 7.11 7.11 77.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 2/cyclin A IC50 = 77.0 nM 7.11 Inhibition of cyclin dependent kinase 2-cyclin A 15828833

Literature References

PubMed DOI Target Context # Activities
15828833 10.1021/jm0408870 ADMET 2
15828833 10.1021/jm0408870 Cyclin-dependent kinase 2/cyclin A 1
15828833 10.1021/jm0408870 A2780 1
15828833 10.1021/jm0408870 Homo sapiens 1

Data from ChEMBL 36 via Core Engine