Compound Detail
CHEMBL4855398
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Basic Information
| ChEMBL ID | CHEMBL4855398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOQJJFCWQHNVGW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
5.28
ALogP
7
HBA
2
HBD
89.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.0 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.4433 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 2600.0 | nM | 5.58 | Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis... | 34374537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34374537 | 10.1021/acs.jmedchem.1c01058 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 34374537 | 10.1021/acs.jmedchem.1c01058 | ADMET | 2 |
| 34374537 | 10.1021/acs.jmedchem.1c01058 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 34374537 | 10.1021/acs.jmedchem.1c01058 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 34374537 | 10.1021/acs.jmedchem.1c01058 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine