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Compound Detail

CHEMBL2377852

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C=CCNc1nc(N)c(C(=O)Nc2cc(C)no2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377852
Phase Preclinical
Structure Type MOL
InChI Key RSTVRLVBFIBKBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
1.87
ALogP
7
HBA
3
HBD
106.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N5O2S
MW 279.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.30

Literature References

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

Data from ChEMBL 36 via Core Engine