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Compound Detail

CHEMBL93803

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CS(=O)(=O)c1ccc(C2=C(c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93803
Phase Preclinical
Structure Type MOL
InChI Key ANTUDLOSLOEGEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
3.79
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16O2S
MW 284.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00501-X Prostaglandin G/H synthase 2 1
- 10.1016/S0960-894X(96)00501-X Prostaglandin G/H synthase 1 1
- 10.1016/S0960-894X(96)00501-X Cyclooxygenase 1

Data from ChEMBL 36 via Core Engine