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Compound Detail

CHEMBL314027

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CSC(SC)=C1C(=O)C(C)(C)Oc2ccc(C#N)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314027
Phase Preclinical
Structure Type MOL
InChI Key UQIKZKMLRIAGAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.69
ALogP
5
HBA
0
HBD
50.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO2S2
MW 305.42
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
1875351 10.1021/jm00112a037 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine