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Compound Detail

CHEMBL141269

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O=C(OC1CCN(Cc2ccc(F)cc2)CC1)C(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL141269
Phase Preclinical
Structure Type MOL
InChI Key VFMONUOYFULIIW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.27
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.61
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 C26H26FNO3
MW 419.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.78

Activity Summary

Ki 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 9.8 9.8 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 0.16 nM 9.8 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