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Compound Detail

CHEMBL350223

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COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1

Basic Information

ChEMBL ID CHEMBL350223
Phase Preclinical
Structure Type MOL
InChI Key GZKRTTMTYORGJF-QDBJPTASSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
2.70
ALogP
4
HBA
0
HBD
34.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O2
MW 310.40
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.21

Activity Summary

IC50 2 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 10.0 8.61 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00087-A Muscarinic acetylcholine receptor 3
- 10.1016/0960-894X(95)00087-A Muscarinic acetylcholine receptor M1 2
- 10.1016/0960-894X(95)00087-A Muscarinic acetylcholine receptor M2 2

Data from ChEMBL 36 via Core Engine