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Compound Detail

CHEMBL4783158

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Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783158
Phase Preclinical
Structure Type MOL
InChI Key WYLRCSADZJVVKO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.4
MW (Da)
3.29
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.80
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 C16H19N3O
MW 269.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.73

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