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

CHEMBL92387

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
Cc1ccc(C[N+](C)(C)C)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL92387
Phase Preclinical
Structure Type MOL
InChI Key KOWVJDFMEZKDDT-UHFFFAOYSA-N
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

154.2
MW (Da)
1.79
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H16NO+
MW 154.23
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.32

Activity Summary

Ki 5 meas. best 6.02
IC50 2 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 IC50 8.25 8.25 5.6 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 6.02 6.02 955.0 1
Muscarinic acetylcholine receptor M1
CHEMBL276
 IC50 5.85 5.85 1410.0 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 5.21 5.21 6165.9 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 5.2 5.2 6309.6 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 5.16 5.16 6918.3 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor IC50 = 5.6 nM 8.25 Ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane f... 1732522
Muscarinic acetylcholine receptor M2 Ki = 954.99 nM 6.02 Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells... 18543900
Muscarinic acetylcholine receptor M1 IC50 = 1410.0 nM 5.85 Ability to displace [3H]pirenzepine (pir) from muscarinic acetylcholine receptor... 1732522
Muscarinic acetylcholine receptor M3 Ki = 6165.95 nM 5.21 Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells... 18543900
Muscarinic acetylcholine receptor M4 Ki = 6309.57 nM 5.2 Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells... 18543900
Muscarinic acetylcholine receptor M5 Ki = 6918.31 nM 5.16 Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells... 18543900
Muscarinic acetylcholine receptor M1 Ki = 7943.28 nM 5.1 Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... 18543900

Literature References

PubMed DOI Target Context # Activities
1732522 10.1021/jm00079a002 Muscarinic acetylcholine receptor M1 4
1732522 10.1021/jm00079a002 Muscarinic acetylcholine receptor 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
1732522 10.1021/jm00079a002 Cavia porcellus 1
1732522 10.1021/jm00079a002 Muscarinic acetylcholine receptor M3 1
18543900 10.1021/jm800145d Muscarinic acetylcholine receptor M1 1
18543900 10.1021/jm800145d Muscarinic acetylcholine receptor M2 1
18543900 10.1021/jm800145d Muscarinic acetylcholine receptor M3 1
18543900 10.1021/jm800145d Muscarinic acetylcholine receptor M4 1
18543900 10.1021/jm800145d Muscarinic acetylcholine receptor M5 1

Data from ChEMBL 36 via Core Engine