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Compound Detail

CHEMBL189701

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Cc1cc(C)c(S(N)(=O)=O)c(C)c1-c1noc(C)c1-c1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189701
Phase Preclinical
Structure Type MOL
InChI Key FCOHFFXUGBMETP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
2.54
ALogP
6
HBA
2
HBD
146.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O5S2
MW 435.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
15369392 10.1021/jm040782x Prostaglandin G/H synthase 1 1
15369392 10.1021/jm040782x Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine