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Compound Detail

CHEMBL149884

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COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)N(C)Cc4ccccc4)cccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149884
Phase Preclinical
Structure Type MOL
InChI Key MYURBNWXWNRMLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.96
ALogP
4
HBA
2
HBD
87.3
PSA (Ų)
0.41
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 C26H22N4O3
MW 438.49
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.06

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