Compound Detail
CHEMBL364003
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Basic Information
| ChEMBL ID | CHEMBL364003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPPLPODBERCBRQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
176.3
MW (Da)
2.16
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 1.8 | nM | 8.74 | Binding affinity for rat brain Nicotinic acetylcholine receptor alpha4-beta2 usi... | 16039854 |
| Unchecked | EC50 | = | 990.0 | nM | 6.0 | functional assay: Nematode eggs are isolated from fresh feces by centrifugation ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16039854 | 10.1016/j.bmcl.2005.06.053 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine