Compound Detail
CHEMBL1907642
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Basic Information
| ChEMBL ID | CHEMBL1907642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBYVXQYGAORFHI-LXEBWKNUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
6.87
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.41 | 6.41 | 392.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.32 | 6.32 | 477.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 392.0 | nM | 6.41 | Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate... | 10737741 |
| Sodium-dependent dopamine transporter | Ki | = | 477.0 | nM | 6.32 | Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putam... | 10737741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737741 | 10.1021/jm990265s | Sodium-dependent dopamine transporter | 1 |
| 10737741 | 10.1021/jm990265s | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine