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Compound Detail

CHEMBL140277

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CC(CF)N1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140277
Phase Preclinical
Structure Type MOL
InChI Key QWPPCJAQJNIVOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.29
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26FNO3
MW 371.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.53

Activity Summary

Ki 1 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 8.59 8.59 2.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 2.6 nM 8.59 In vitro for binding affinity for muscarinic acetylcholine receptors in homogeni... 11087580

Literature References

PubMed DOI Target Context # Activities
11087580 10.1021/jm000305o Muscarinic acetylcholine receptor 1
11087580 10.1021/jm000305o No relevant target 1

Data from ChEMBL 36 via Core Engine