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Compound Detail

CHEMBL371808

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CCC(CC1CCCN1C)OC(=O)c1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371808
Phase Preclinical
Structure Type MOL
InChI Key RYPRZTQYXXYPME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.59
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.86
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 C18H24N2O2
MW 300.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
16033252 10.1021/jm040219e Unchecked 2
16033252 10.1021/jm040219e Neuronal acetylcholine receptor subunit alpha-7 2
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha3/beta2 1

Data from ChEMBL 36 via Core Engine