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Compound Detail

CHEMBL225236

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O=S(=O)(Nc1ccncc1Oc1cc(Cl)cc(Cl)c1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225236
Phase Preclinical
Structure Type MOL
InChI Key FFRZHBDCPOPMNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.2
MW (Da)
4.44
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.84
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 C12H7Cl2F3N2O3S
MW 387.17
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
15615524 10.1021/jm049480l Prostaglandin G/H synthase 2 1
15615524 10.1021/jm049480l Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine