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Compound Detail

CHEMBL48081

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Nc1nccc(-c2cc3cc(Br)ccc3[nH]2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48081
Phase Preclinical
Structure Type MOL
InChI Key GVWACJDKQBKZIF-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

289.1
MW (Da)
2.97
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H9BrN4
MW 289.14
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.93

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15026054 10.1016/j.bmcl.2004.01.050 Cyclin-dependent kinase 1/cyclin B 1
15026054 10.1016/j.bmcl.2004.01.050 Cyclin-dependent kinase 5/CDK5 activator 1 1
15026054 10.1016/j.bmcl.2004.01.050 cAMP-dependent protein kinase (PKA) 1
15026054 10.1016/j.bmcl.2004.01.050 Unchecked 1
15026054 10.1016/j.bmcl.2004.01.050 Glycogen synthase kinase-3 beta 1
15026054 10.1016/j.bmcl.2004.01.050 Casein kinase I 1

Data from ChEMBL 36 via Core Engine