Compound Detail
CHEMBL3104068
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Basic Information
| ChEMBL ID | CHEMBL3104068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUMIHJABBRXLCB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
224.2
MW (Da)
2.19
ALogP
5
HBA
0
HBD
64.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha4/beta2/alpha5 CHEMBL3038461 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha4/beta2/alpha5 | EC50 | = | 1000.0 | nM | 6.0 | Positive allosteric modulation of human alpha4beta2alpha5 nACHR expressed in HEK... | 24365158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24365158 | 10.1016/j.bmcl.2013.11.049 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5 | 4 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine