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Compound Detail

CHEMBL374387

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O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374387
Phase Preclinical
Structure Type MOL
InChI Key BWJCGMLRNXTTJU-WQRHYEAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
6.66
ALogP
4
HBA
0
HBD
33.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H11Cl2NO2S2
MW 432.35
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.99

Literature References

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

Data from ChEMBL 36 via Core Engine