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Compound Detail

CHEMBL1161007

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CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/[C@@H]1CCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161007
Phase Preclinical
Structure Type MOL
InChI Key AWZIMHSTIDUIGV-IRJFBMNHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.69
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23NO
MW 233.35
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.60

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14552793 10.1016/s0960-894x(03)00728-5 Neuronal acetylcholine receptor 2

Data from ChEMBL 36 via Core Engine