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Compound Detail

CHEMBL4746001

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CC1(C)CC(=O)c2cnn(-c3ccccn3)c2C1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4746001
Phase Preclinical
Structure Type MOL
InChI Key QXCSEXRPQUMQAQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.2
MW (Da)
3.32
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14BrN3O
MW 320.19
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33550184 10.1016/j.ejmech.2021.113232 CDK2/Cyclin A2 1

Data from ChEMBL 36 via Core Engine