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Compound Detail

CHEMBL16647

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CC(C)(C)c1cc(-c2nnc(SCC(F)(F)F)s2)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16647
Phase Preclinical
Structure Type MOL
InChI Key HYPDPUFNFYZDEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
6.16
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23F3N2OS2
MW 404.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
10197960 10.1021/jm980570y Prostaglandin G/H synthase 2 2
10197960 10.1021/jm980570y Prostaglandin G/H synthase 1 2

Data from ChEMBL 36 via Core Engine