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Compound Detail

CHEMBL2377683

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CN(C)/C=C/C(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377683
Phase Preclinical
Structure Type MOL
InChI Key CNWJWVMDLQKIJB-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
1.37
ALogP
8
HBA
3
HBD
131.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N5O3S2
MW 367.46
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.67

Literature References

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

Data from ChEMBL 36 via Core Engine