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Compound Detail

CHEMBL5589971

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O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5589971
Phase Preclinical
Structure Type MOL
InChI Key ROSLBMYDHUGQRN-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
6.13
ALogP
4
HBA
2
HBD
68.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F3N2O4
MW 442.39
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
38215588 10.1016/j.ejmech.2023.116113 Bifunctional epoxide hydrolase 2 2

Data from ChEMBL 36 via Core Engine