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Compound Detail

CHEMBL314877

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Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314877
Phase Preclinical
Structure Type MOL
InChI Key WNAPOYIRDCLIRL-ISLYRVAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.2
MW (Da)
5.05
ALogP
3
HBA
2
HBD
60.7
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10BrN3O
MW 316.16
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
15115396 10.1021/jm0304358 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine