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Compound Detail

CHEMBL2377854

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C=CCNc1nc(N)c(C(=O)C(C)(C)C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377854
Phase Preclinical
Structure Type MOL
InChI Key PLQYNFCLDJYGTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.55
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.63
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 C11H17N3OS
MW 239.34
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.31

Literature References

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

Data from ChEMBL 36 via Core Engine