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Compound Detail

CHEMBL5574217

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CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(F)c(C(F)(F)F)c1)OC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5574217
Phase Preclinical
Structure Type MOL
InChI Key GTFCGOVCEHWBST-IOASZLSFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
5.67
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20F4O
MW 328.35
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
38151460 10.1021/acs.jmedchem.3c01758 Neuronal acetylcholine receptor; alpha3/beta4 2

Data from ChEMBL 36 via Core Engine