Compound Detail
CHEMBL12378
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Basic Information
| ChEMBL ID | CHEMBL12378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKFJSSZEZLOHAQ-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.10
ALogP
4
HBA
0
HBD
42.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.55
IC50 2 meas. best 6.16
Ki 2 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL3733 | Ki | 9.23 | 9.105 | 0.6 | 2 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| A9 CHEMBL614518 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5105 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL3733 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.589 | nM | 9.23 | Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine recept... | 9111297 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1.05 | nM | 8.98 | Binding affinity of [3H]-(R)-QNB binding to Muscarinic acetylcholine receptor M1... | 9111297 |
| Muscarinic acetylcholine receptor | IC50 | = | 690.0 | nM | 6.16 | Inhibition of [3H]-(R)-QNB binding to muscarinic receptors of rat brain membrane... | 8464038 |
| A9 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Forskolin-Induced cAMP production in A9 L cells expressing m2 rece... | 9111297 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 2800.0 | nM | 5.55 | Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line | 9111297 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 12000.0 | nM | 4.92 | Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line | 9111297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111297 | 10.1021/jm960467d | Muscarinic acetylcholine receptor M1 | 6 |
| 9111297 | 10.1021/jm960467d | Muscarinic acetylcholine receptor M3 | 6 |
| 9111297 | 10.1021/jm960467d | Muscarinic acetylcholine receptor M2 | 4 |
| 2213823 | 10.1021/jm00172a003 | Muscarinic acetylcholine receptor | 3 |
| 2319559 | 10.1021/jm00166a008 | Muscarinic acetylcholine receptor | 3 |
| 2002451 | 10.1021/jm00107a032 | Muscarinic acetylcholine receptor | 3 |
| - | 10.1584/jpestics.G11-28 | Aphis craccivora | 3 |
| - | 10.1584/jpestics.G11-28 | Nephotettix cincticeps | 3 |
| - | 10.1584/jpestics.G11-28 | Nilaparvata lugens | 3 |
| 9111297 | 10.1021/jm960467d | A9 | 2 |
| 2362286 | 10.1021/jm00169a041 | Muscarinic acetylcholine receptor | 2 |
| 8464038 | 10.1021/jm00059a008 | Muscarinic acetylcholine receptor | 1 |
| 8464038 | 10.1021/jm00059a008 | Rattus norvegicus | 1 |
| 2002451 | 10.1021/jm00107a032 | No relevant target | 1 |
| 2362286 | 10.1021/jm00169a041 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine