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Compound Detail

CHEMBL388950

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CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388950
Phase Preclinical
Structure Type MOL
InChI Key OMYKVOJSIQKDEV-QPEQYQDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.3
MW (Da)
5.08
ALogP
4
HBA
0
HBD
33.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9Cl2NO2S2
MW 370.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.88

Literature References

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

Data from ChEMBL 36 via Core Engine