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Compound Detail

CHEMBL2377835

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CCOC(=O)c1sc(Nc2ccccc2)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377835
Phase Preclinical
Structure Type MOL
InChI Key STKGEEBMWXDXRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.65
ALogP
6
HBA
2
HBD
77.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13N3O2S
MW 263.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
23600925 10.1021/jm301234k CDK2/Cyclin A2 1

Data from ChEMBL 36 via Core Engine