Compound Detail
CHEMBL110018
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Basic Information
| ChEMBL ID | CHEMBL110018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSYYEAWIQXWYBA-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
195.3
MW (Da)
0.10
ALogP
2
HBA
1
HBD
49.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.35
Kd 1 meas. best 4.31
Ki 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 4.97 | 4.97 | 10700.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | EC50 | 4.35 | 4.35 | 44900.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 10700.0 | nM | 4.97 | Displacement of [3H]3-quinuclidinyl benzilate ([3H]-QNB) from muscarinic acetylc... | 1507212 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 44900.0 | nM | 4.35 | Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea p... | 1507212 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 49000.0 | nM | 4.31 | Dissociation constant for complex with muscarinic acetylcholine receptor M3 of g... | 1507212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1507212 | 10.1021/jm00095a025 | Muscarinic acetylcholine receptor M3 | 4 |
| 1507212 | 10.1021/jm00095a025 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine