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Compound Detail

CHEMBL227819

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COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227819
Phase Preclinical
Structure Type MOL
InChI Key PSVJHVCUQCUABD-BOPFTXTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
4.72
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO2S2
MW 355.48
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
17477517 10.1021/jm061257w Enoyl-acyl-carrier protein reductase 2

Data from ChEMBL 36 via Core Engine