Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL85190

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN1C2CCCC1C(OC(=O)c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85190
Phase Preclinical
Structure Type MOL
InChI Key ARWACDLWRNGONO-UHFFFAOYSA-N
5
Targets
11
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
2.47
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO2
MW 245.32
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.89

Activity Summary

Ki 11 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 6.58 6.235 260.0 2
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 6.57 5.84 270.0 2
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 6.39 6.215 410.0 2
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 6.1 5.9425 790.0 4
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M2 Ki = 260.0 nM 6.58 Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylch... 10891110
Muscarinic acetylcholine receptor M1 Ki = 270.0 nM 6.57 Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine rec... 10891110
Muscarinic acetylcholine receptor M4 Ki = 410.0 nM 6.39 Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine ... 10891110
Muscarinic acetylcholine receptor Ki = 790.0 nM 6.1 Inhibition of [3H]- oxotremorine-M binding to Muscarinic acetylcholine receptor ... 10891110
Muscarinic acetylcholine receptor Ki = 860.0 nM 6.07 The binding affinity was measured as inhibition of binding of [3H]- oxotremorine... 10891110
Muscarinic acetylcholine receptor M4 Ki = 910.0 nM 6.04 Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine rec... 10891110
Muscarinic acetylcholine receptor M2 Ki = 1300.0 nM 5.89 Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine rec... 10891110
Muscarinic acetylcholine receptor Ki = 1400.0 nM 5.85 Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine ... 10891110
Muscarinic acetylcholine receptor Ki = 1800.0 nM 5.75 Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine ... 10891110
Muscarinic acetylcholine receptor M3 Ki = 3200.0 nM 5.5 Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylch... 10891110
Muscarinic acetylcholine receptor M1 Ki = 7700.0 nM 5.11 The binding affinity was measured as inhibition of binding of [3H]- quinuclidiny... 10891110

Literature References

PubMed DOI Target Context # Activities
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor 5
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor M1 2
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor M2 2
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor M3 2
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor M4 2
10891110 10.1021/jm9904001 Unchecked 1

Data from ChEMBL 36 via Core Engine