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Compound Detail

CHEMBL340400

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CC(=O)Nc1nnc(SCC(=O)OC(C)(C)C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340400
Phase Preclinical
Structure Type MOL
InChI Key HCAACXDTOHGYSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
1.93
ALogP
7
HBA
1
HBD
81.2
PSA (Ų)
0.52
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 C10H15N3O3S2
MW 289.38
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -2.40

Literature References

PubMed DOI Target Context # Activities
12190313 10.1021/jm0201520 Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine