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Compound Detail

CHEMBL4457605

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O=c1cc(-c2ccc(-c3ccccc3)s2)c2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4457605
Phase Preclinical
Structure Type MOL
InChI Key LQUWXVKKEAUSPC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
5.19
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12O2S
MW 304.37
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
27213819 10.1021/acs.jmedchem.6b00158 SK-OV-3 1
27213819 10.1021/acs.jmedchem.6b00158 HCT-116 1
27213819 10.1021/acs.jmedchem.6b00158 HepG2 1

Data from ChEMBL 36 via Core Engine