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Compound Detail

CHEMBL190555

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CN1[C@@H](CCc2ccccc2)CCC[C@@H]1/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190555
Phase Preclinical
Structure Type MOL
InChI Key IAZJJYHHFHZOIL-RASLGIBBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

305.5
MW (Da)
5.19
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N
MW 305.46
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
16107155 10.1021/jm0501228 Neuronal acetylcholine receptor; alpha4/beta2 1
16107155 10.1021/jm0501228 Neuronal acetylcholine receptor subunit alpha-7 1
16107155 10.1021/jm0501228 Synaptic vesicular amine transporter 1
16107155 10.1021/jm0501228 Unchecked 1

Data from ChEMBL 36 via Core Engine