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Compound Detail

CHEMBL489854

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COc1ccc(C(C)N/C=C2\C(=O)NC(=O)c3ccc(Br)cc32)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489854
Phase Preclinical
Structure Type MOL
InChI Key XTMMGYWJDOYDQJ-DHDCSXOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

417.3
MW (Da)
3.13
ALogP
5
HBA
3
HBD
87.7
PSA (Ų)
0.53
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 C19H17BrN2O4
MW 417.26
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
19317452 10.1021/jm801026e Cyclin-dependent kinase 2 1
19317452 10.1021/jm801026e Cyclin-dependent kinase 1/cyclin B1 1
19317452 10.1021/jm801026e Cyclin-dependent kinase 4/cyclin D1 1

Data from ChEMBL 36 via Core Engine