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Compound Detail

CHEMBL4756865

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Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2N(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4756865
Phase Preclinical
Structure Type MOL
InChI Key XBUWXMQTQLNCLM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
2.79
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.86
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 C17H22N4O
MW 298.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.93

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