Compound Detail
CHEMBL3289390
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Basic Information
| ChEMBL ID | CHEMBL3289390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRRNZNSGDSFFIR-FSRHSHDFSA-M |
| Parent Compound | CHEMBL1437876 |
| Active Moiety | CHEMBL1437876 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.70
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.35 | 9.35 | 0.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.45 | nM | 9.35 | Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by s... | 24844758 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 2.11 | nM | 8.68 | Displacement of [3H]NMS from human M3R expressed in CHOK1 cells after 2 hrs by s... | 24844758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24844758 | 10.1016/j.bmc.2014.04.029 | Mus musculus | 10 |
| 24844758 | 10.1016/j.bmc.2014.04.029 | Lung | 4 |
| 24844758 | 10.1016/j.bmc.2014.04.029 | Muscarinic acetylcholine receptor M2 | 2 |
| 24844758 | 10.1016/j.bmc.2014.04.029 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine