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Compound Detail

CHEMBL484477

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COc1cc(CN/C=C2\C(=O)NC(=O)c3ccc(Br)cc32)cc(O)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484477
Phase Preclinical
Structure Type MOL
InChI Key WQLDJWGOTMSDSG-ZROIWOOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

433.3
MW (Da)
2.57
ALogP
6
HBA
3
HBD
96.9
PSA (Ų)
0.50
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 C19H17BrN2O5
MW 433.26
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.12

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