Compound Detail
CHEMBL460680
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Basic Information
| ChEMBL ID | CHEMBL460680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATQNZOMJKQGZHT-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
1.64
ALogP
9
HBA
4
HBD
157.3
PSA (Ų)
0.29
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 9.57 | 9.57 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 448.29 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 118.91 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2.4 | hr | Rattus norvegicus |
| CL | 183.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 166.0 | nM | Rattus norvegicus |
| F | 26.0 | % | Rattus norvegicus |
| MRT | 1.4 | hr | Rattus norvegicus |
| Tmax | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 0.27 | nM | 9.57 | Agonist activity at GHS receptor | 18554903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18554903 | 10.1016/j.bmcl.2008.05.100 | Rattus norvegicus | 10 |
| 18554903 | 10.1016/j.bmcl.2008.05.100 | Growth hormone secretagogue receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine