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Compound Detail

CHEMBL4446604

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CS(=O)(=O)c1ccc(-c2ccc(-c3cc(=O)oc4ccccc34)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4446604
Phase Preclinical
Structure Type MOL
InChI Key DZVGJWDYSOTLTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.59
ALogP
5
HBA
0
HBD
64.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14O4S2
MW 382.46
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.71

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