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Compound Detail

CHEMBL227707

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Cc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227707
Phase Preclinical
Structure Type MOL
InChI Key JWKGSAKZSGTHLQ-GDNBJRDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.11
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.67
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 C17H13NO2S2
MW 327.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.65

Literature References

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

Data from ChEMBL 36 via Core Engine