Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL216914

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3ccc(C(C)C(=O)O)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216914
Phase Preclinical
Structure Type MOL
InChI Key SZOUDTOEFMROHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.0
MW (Da)
5.83
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClNO4S
MW 455.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
17181139 10.1021/jm0610200 Unchecked 3

Data from ChEMBL 36 via Core Engine