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Compound Detail

CHEMBL4777481

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Cc1cccnc1-n1nc(C)c2c1C(Br)C(C)(C)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777481
Phase Preclinical
Structure Type MOL
InChI Key ZXUHRZQXUFLQTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.2
MW (Da)
3.93
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.73
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 C16H18BrN3O
MW 348.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.41

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