Compound Detail
CHEMBL4876535
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Basic Information
| ChEMBL ID | CHEMBL4876535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMLJVMWHCHKGJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
21
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.3
MW (Da)
3.77
ALogP
7
HBA
2
HBD
95.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 135.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 112.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 408.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 138.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 125.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 413.0 | ng.hr.mL-1 | Mus musculus |
| CL | 122.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 159.01 | nM | Mus musculus |
| Cmax | 572.44 | nM | Mus musculus |
| F | 30.0 | % | Mus musculus |
| F | 99.0 | % | Mus musculus |
| MRT | 0.7 | hr | Mus musculus |
| MRT | 1.7 | hr | Mus musculus |
| MRT | 1.7 | hr | Mus musculus |
| T1/2 | 0.8 | hr | Mus musculus |
| T1/2 | 1.2 | hr | Mus musculus |
| T1/2 | 1.3 | hr | Mus musculus |
| T1/2 | 1.9 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Mus musculus |
| Tmax | 0.4 | hr | Mus musculus |
| Vd | 8.8 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 3200.0 | nM | 5.5 | 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 | ADMET | 21 |
| 34374537 | 10.1021/acs.jmedchem.1c01058 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
Data from ChEMBL 36 via Core Engine