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Compound Detail

CHEMBL4578511

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CCc1ccc(S(=O)(=O)Oc2cc(N(C)c3cc(=O)oc4ccccc34)ccc2OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4578511
Phase Preclinical
Structure Type MOL
InChI Key NCOXGWAFGGVKQG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
4.90
ALogP
7
HBA
0
HBD
86.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23NO6S
MW 465.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.64

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