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Compound Detail

CHEMBL185638

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Cc1cc(C)c(S(N)(=O)=O)c(C)c1-c1noc(C)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185638
Phase Preclinical
Structure Type MOL
InChI Key RIQHWGLHJKTWMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.89
ALogP
4
HBA
1
HBD
86.2
PSA (Ų)
0.77
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 C19H20N2O3S
MW 356.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.98

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