Compound Detail
CHEMBL15944
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Basic Information
| ChEMBL ID | CHEMBL15944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGQUZSYRIZOLFQ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
227.4
MW (Da)
1.98
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 4.5 | nM | 8.35 | In vitro Binding affinity was measured on Muscarinic acetylcholine receptor on r... | 9438027 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 480.0 | nM | 6.32 | Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([... | 9438027 |
| Muscarinic acetylcholine receptor M4 | IC50 | = | 1200.0 | nM | 5.92 | Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([... | 9438027 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 1600.0 | nM | 5.8 | Compound was evaluated for its ability to displace [3H]N-methylscopolamine ([3H]... | 9438027 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 1800.0 | nM | 5.75 | Compound was evaluated for its ability to displace [3H]N-methylscopolamine ([3H]... | 9438027 |
| Muscarinic acetylcholine receptor M5 | IC50 | = | 2100.0 | nM | 5.68 | Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([... | 9438027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438027 | 10.1021/jm9705216 | Mus musculus | 3 |
| 9438027 | 10.1021/jm9705216 | Muscarinic acetylcholine receptor | 1 |
| 9438027 | 10.1021/jm9705216 | Muscarinic acetylcholine receptor M1 | 1 |
| 9438027 | 10.1021/jm9705216 | Muscarinic acetylcholine receptor M2 | 1 |
| 9438027 | 10.1021/jm9705216 | Muscarinic acetylcholine receptor M3 | 1 |
| 9438027 | 10.1021/jm9705216 | Muscarinic acetylcholine receptor M4 | 1 |
| 9438027 | 10.1021/jm9705216 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine