Compound Detail
CHEMBL306182
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Basic Information
| ChEMBL ID | CHEMBL306182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBPHTHKZWFXRBN-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1183585 |
| Active Moiety | CHEMBL1183585 |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.07
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.56
Kd 2 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 9.03 | 9.03 | 0.9 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 8.91 | 8.91 | 1.2 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 8.56 | 8.56 | 2.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 8.53 | 8.53 | 3.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.95 | 7.95 | 11.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Kd | = | 0.9333 | nM | 9.03 | Evaluation of antagonistic affinity against muscarinic receptor (M3) in guinea p... | - |
| Muscarinic acetylcholine receptor M2 | Kd | = | 1.23 | nM | 8.91 | Evaluation of antagonistic affinity against muscarinic receptor (M2) in guinea p... | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 2.754 | nM | 8.56 | Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarini... | - |
| Muscarinic acetylcholine receptor M3 | Ki | = | 2.951 | nM | 8.53 | Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarini... | - |
| Muscarinic acetylcholine receptor M1 | Ki | = | 5.012 | nM | 8.3 | Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic recepto... | - |
| Muscarinic acetylcholine receptor M4 | Ki | = | 11.22 | nM | 7.95 | Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarini... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00403-G | Muscarinic acetylcholine receptor M2 | 2 |
| - | 10.1016/0960-894X(95)00403-G | Muscarinic acetylcholine receptor M3 | 2 |
| - | 10.1016/0960-894X(95)00403-G | Muscarinic acetylcholine receptor M1 | 1 |
| - | 10.1016/0960-894X(95)00403-G | Muscarinic acetylcholine receptor M4 | 1 |
Data from ChEMBL 36 via Core Engine