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Compound Detail

CHEMBL1823383

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CCOC(=O)c1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1823383
Phase Preclinical
Structure Type MOL
InChI Key VGOGILKUALKOOP-MWLCHTKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
2.15
ALogP
5
HBA
1
HBD
64.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O3
MW 262.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
21824774 10.1016/j.bmcl.2011.06.127 Unchecked 1
21824774 10.1016/j.bmcl.2011.06.127 Neuronal acetylcholine receptor subunit alpha-7 1
21824774 10.1016/j.bmcl.2011.06.127 Acetylcholine receptor subunit alpha 1
21824774 10.1016/j.bmcl.2011.06.127 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine