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Compound Detail

CHEMBL4451329

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CCOC(=O)c1ccc(-c2ccc(-c3cc(=O)oc4cc(OC)ccc34)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4451329
Phase Preclinical
Structure Type MOL
InChI Key WWRJABYDEHPORD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
5.37
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18O5S
MW 406.46
Aromatic Rings 4
Heavy Atoms 29
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