Compound Detail
CHEMBL288113
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Basic Information
| ChEMBL ID | CHEMBL288113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHBBMEXIWWKUNY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
171.2
MW (Da)
0.84
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.0 | 6.12 | 100.0 | 2 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 4.6 | 4.6 | 25100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 35.0 | nM | 7.46 | Binding affinity against muscarinic acetylcholine receptor from rat brain crude ... | 7739014 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 100.0 | nM | 7.0 | In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of mus... | - |
| Muscarinic acetylcholine receptor M1 | Ki | = | 5825.0 | nM | 5.24 | In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measu... | - |
| Muscarinic acetylcholine receptor | Ki | = | 25100.0 | nM | 4.6 | Binding affinity against muscarinic acetylcholine receptor from rat brain crude ... | 7739014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80537-5 | Muscarinic acetylcholine receptor M1 | 6 |
| 7739014 | 10.1021/jm00009a016 | Muscarinic acetylcholine receptor | 3 |
| 3339620 | 10.1021/jm00397a039 | Muscarinic acetylcholine receptor | 2 |
| 3339620 | 10.1021/jm00397a039 | Unchecked | 1 |
| 7739014 | 10.1021/jm00009a016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine