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Compound Detail

CHEMBL334387

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CC[C@@H]1O[C@@]2(CC1=O)CN1CCC2C1

Basic Information

ChEMBL ID CHEMBL334387
Phase Preclinical
Structure Type MOL
InChI Key UCBMMZUQOWFFKQ-CSUXEGHOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

195.3
MW (Da)
0.83
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.62
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 C11H17NO2
MW 195.26
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.19

Activity Summary

Ki 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9784090 10.1021/jm980192x Muscarinic acetylcholine receptor 1
9784090 10.1021/jm980192x Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine