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Compound Detail

CHEMBL162721

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CC(C)c1cccc(C(C)C)c1OC(=O)CC(=O)Nc1c(F)cc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162721
Phase Preclinical
Structure Type MOL
InChI Key UCVOKWYBENZMBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
5.28
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22F3NO3
MW 393.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00098-4 Acyl-CoA:cholesterol acyltransferase 1
- 10.1016/0960-894X(96)00098-4 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine