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Compound Detail

CHEMBL516647

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OC(c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1-c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516647
Phase Preclinical
Structure Type MOL
InChI Key DRWUQPBYFZMLOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
5.88
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16F3NO2
MW 395.38
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
18763754 10.1021/jm800683c Cytochrome P450 11B2, mitochondrial 2
18763754 10.1021/jm800683c Cytochrome P450 11B1, mitochondrial 1

Data from ChEMBL 36 via Core Engine