Compound Detail
CHEMBL10272
BENZETIMIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL10272 |
| Name | BENZETIMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LQQIVYSCPWCSSD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
3
Known Names
Molecular Properties
362.5
MW (Da)
3.27
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 15.0 | nM | 7.82 | Displacement of [3H]N-methylscopolamine from rat brain homogenate | 2785211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18922694 | 10.1016/j.bmcl.2008.07.115 | C-X-C chemokine receptor type 3 | 3 |
| 18922694 | 10.1016/j.bmcl.2008.07.115 | Muscarinic acetylcholine receptor M1 | 2 |
| 18922694 | 10.1016/j.bmcl.2008.07.115 | Muscarinic acetylcholine receptor M2 | 2 |
| 18922694 | 10.1016/j.bmcl.2008.07.115 | Muscarinic acetylcholine receptor M3 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 7381857 | 10.1021/jm00179a017 | No relevant target | 1 |
| 7381857 | 10.1021/jm00179a017 | Albumin | 1 |
| 7381857 | 10.1021/jm00179a017 | Cavia porcellus | 1 |
| 2785211 | 10.1021/jm00125a021 | Muscarinic acetylcholine receptor | 1 |
| 6094812 | 10.1021/jm00378a021 | ADMET | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine