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Compound Detail

CHEMBL5438649

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COc1ccc(CC2C(C)(C)CCCC2(O)C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5438649
Phase Preclinical
Structure Type MOL
InChI Key MPCGVHFDSOBCBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.36
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23F3O2
MW 316.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.88

Literature References

PubMed DOI Target Context # Activities
36622903 10.1021/acs.jmedchem.2c01830 Transient receptor potential cation channel subfamily A member 1 2

Data from ChEMBL 36 via Core Engine