Compound Detail
CHEMBL315749
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Basic Information
| ChEMBL ID | CHEMBL315749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTIIXPZNTSCOJU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
2.48
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.85 | 5.18 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 1400.0 | nM | 5.85 | The binding affinity was measured as inhibition of binding of [3H]- oxotremorine... | 10891110 |
| Muscarinic acetylcholine receptor | Ki | = | 31000.0 | nM | 4.51 | Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine ... | 10891110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10891110 | 10.1021/jm9904001 | Muscarinic acetylcholine receptor | 2 |
| 10891110 | 10.1021/jm9904001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine