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Compound Detail

CHEMBL4756568

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Cc1nn(-c2ccccn2)c2c1C(=O)CC(c1ccccc1)C2Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4756568
Phase Preclinical
Structure Type MOL
InChI Key NTYXLGXSEBYERS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
4.38
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16BrN3O
MW 382.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.73

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