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Compound Detail

CHEMBL489424

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O=C1NC(=O)c2ccccc2/C1=C/Nc1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489424
Phase Preclinical
Structure Type MOL
InChI Key ZHOZSQNYXFHRNY-WQLSENKSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
1.82
ALogP
5
HBA
4
HBD
98.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O4
MW 296.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 4/cyclin D1
CHEMBL1907601
 IC50 5.11 5.11 7800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 4/cyclin D1 IC50 = 7800.0 nM 5.11 Inhibition of CDK4/Cyclin D1 assessed as inhibition of retinoblastoma susceptibi... 19317452

Literature References

PubMed DOI Target Context # Activities
19317452 10.1021/jm801026e Cyclin-dependent kinase 4/cyclin D1 1

Data from ChEMBL 36 via Core Engine