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Compound Detail

CHEMBL2024225

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FC(F)(F)c1[nH]nc(-c2ccc(Cl)cc2)c1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2024225
Phase Preclinical
Structure Type MOL
InChI Key BVIZPUHJNAGZAS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.7
MW (Da)
5.34
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.69
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 C17H12ClF3N2
MW 336.74
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.93

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22516672 10.1016/j.bmc.2012.03.044 Prostaglandin G/H synthase 2 2
22516672 10.1016/j.bmc.2012.03.044 Prostaglandin G/H synthase 1 1
22516672 10.1016/j.bmc.2012.03.044 Unchecked 1

Data from ChEMBL 36 via Core Engine