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Compound Detail

CHEMBL4580231

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COc1ccc2c(-c3ccc(-c4cc(OC)c(OC)c(OC)c4)s3)cc(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580231
Phase Preclinical
Structure Type MOL
InChI Key CTODBASANXJGHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
5.22
ALogP
7
HBA
0
HBD
67.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20O6S
MW 424.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.05

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