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Compound Detail

CHEMBL273262

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O=C1CCC(c2ccccc2)(C2CCN(Cc3cccc(Cl)c3)CC2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273262
Phase Preclinical
Structure Type MOL
InChI Key BPTWFLCXTMVYSY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.9
MW (Da)
3.93
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.80
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 C23H25ClN2O2
MW 396.92
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor IC50 = 26.0 nM 7.58 Displacement of [3H]N-methylscopolamine from rat brain homogenate 2785211

Literature References

PubMed DOI Target Context # Activities
2785211 10.1021/jm00125a021 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine