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Compound Detail

CHEMBL228154

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O=C1/C(=C/c2ccco2)SC(=S)N1c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228154
Phase Preclinical
Structure Type MOL
InChI Key QDEBEOKUWAGXNV-WQLSENKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.82
ALogP
4
HBA
0
HBD
33.5
PSA (Ų)
0.62
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 C14H8FNO2S2
MW 305.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.62

Literature References

PubMed DOI Target Context # Activities
17477517 10.1021/jm061257w Enoyl-acyl-carrier protein reductase 3

Data from ChEMBL 36 via Core Engine