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Compound Detail

CHEMBL172194

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CN1CC=C(c2ccccc2-c2ccc(S(C)(=O)=O)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172194
Phase Preclinical
Structure Type MOL
InChI Key JIJBDMLPHBMGFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.48
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.87
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 C19H21NO2S
MW 327.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
10230611 10.1016/s0960-894x(99)00105-5 Prostaglandin G/H synthase 1 1
10230611 10.1016/s0960-894x(99)00105-5 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine