Compound Detail
CHEMBL307837
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Basic Information
| ChEMBL ID | CHEMBL307837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPAXYEXYGTZUBU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL120399 |
| Active Moiety | CHEMBL120399 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
3.77
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 7.14 | 6.935 | 73.0 | 2 |
| Cavia porcellus CHEMBL369 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 73.0 | nM | 7.14 | In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat ... | 1613751 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 187.0 | nM | 6.73 | In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat ... | 1613751 |
| Cavia porcellus | IC50 | = | 5400.0 | nM | 5.27 | In vitro inhibition of force of contraction in guinea pig atria. | 1613751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613751 | 10.1021/jm00090a019 | Muscarinic acetylcholine receptor M1 | 2 |
| 1613751 | 10.1021/jm00090a019 | Cavia porcellus | 2 |
| 1613751 | 10.1021/jm00090a019 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine