Compound Detail
CHEMBL134830
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Basic Information
| ChEMBL ID | CHEMBL134830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKWTWVOXJHEHBQ-UEJVZZJDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
169.2
MW (Da)
0.45
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 5.73 | 5.73 | 1850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 14.0 | nM | 7.85 | Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as t... | 9784090 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1850.0 | nM | 5.73 | In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of mus... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80537-5 | Muscarinic acetylcholine receptor M1 | 5 |
| 9784090 | 10.1021/jm980192x | Muscarinic acetylcholine receptor | 1 |
| 9784090 | 10.1021/jm980192x | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine