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Compound Detail

CHEMBL4749900

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Cc1nn(CCC#N)c2c1C(=O)CC(C)(C)C2Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749900
Phase Preclinical
Structure Type MOL
InChI Key CYYUCAJWTUCNBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.2
MW (Da)
3.15
ALogP
4
HBA
0
HBD
58.7
PSA (Ų)
0.79
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 C13H16BrN3O
MW 310.20
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.62

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