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Compound Detail

CHEMBL520020

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O=C1NC(=O)c2ccc(Br)cc2/C1=C/NCc1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL520020
Phase Preclinical
Structure Type MOL
InChI Key JQGJCHUUGZQKAW-JYRVWZFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

389.2
MW (Da)
2.26
ALogP
5
HBA
4
HBD
98.7
PSA (Ų)
0.37
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 C17H13BrN2O4
MW 389.20
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.31

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