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Compound Detail

CHEMBL2323573

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CCCCC#Cc1cnc(C(F)(F)F)c(OC[C@@H]2CCN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323573
Phase Preclinical
Structure Type MOL
InChI Key HXROCIGKAXRLTG-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
3.38
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19F3N2O
MW 312.33
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
23540678 10.1021/jm4000374 Neuronal acetylcholine receptor subunit alpha-7 1
23540678 10.1021/jm4000374 Neuronal acetylcholine receptor; alpha4/beta4 1
23540678 10.1021/jm4000374 Neuronal acetylcholine receptor; alpha3/beta2 1
23540678 10.1021/jm4000374 Neuronal acetylcholine receptor; alpha2/beta4 1
23540678 10.1021/jm4000374 Neuronal acetylcholine receptor; alpha2/beta2 1
23540678 10.1021/jm4000374 Unchecked 1
23540678 10.1021/jm4000374 Neuronal acetylcholine receptor; alpha4/beta2 1
23540678 10.1021/jm4000374 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine