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Compound Detail

CHEMBL344130

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C=C(O)c1ccc2n1C(=O)c1cccc(NC(=O)Nc3ccccn3)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344130
Phase Preclinical
Structure Type MOL
InChI Key JMZWTTGRDMWGQV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.72
ALogP
5
HBA
3
HBD
96.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N4O3
MW 346.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 17.0 nM 7.77 Inhibitory activity against CDK4 using recombinant human cyclin D2-CDK4 complex ... 11741479

Literature References

PubMed DOI Target Context # Activities
11741479 10.1021/jm0103256 Unchecked 1

Data from ChEMBL 36 via Core Engine