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Compound Detail

CHEMBL174473

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Cn1c(O)c(C2=Nc3ccccc3C2=O)c2ccc(Br)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174473
Phase Preclinical
Structure Type MOL
InChI Key VGTQMXSILOTJTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.2
MW (Da)
3.96
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11BrN2O2
MW 355.19
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
14761195 10.1021/jm031016d Cyclin-dependent kinase 1/cyclin B 1
14761195 10.1021/jm031016d Cyclin-dependent kinase 5/CDK5 activator 1 1
14761195 10.1021/jm031016d Glycogen synthase kinase-3 1

Data from ChEMBL 36 via Core Engine