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Compound Detail

CHEMBL424507

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COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN)cccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424507
Phase Preclinical
Structure Type MOL
InChI Key HCADPEFEJYIIGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.19
ALogP
5
HBA
3
HBD
110.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4O3
MW 348.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.68

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