Compound Detail
CHEMBL46479
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Basic Information
| ChEMBL ID | CHEMBL46479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQFBRKSYUGLJSA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
12
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.3
MW (Da)
4.03
ALogP
5
HBA
0
HBD
47.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.92 | 7.92 | 12.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 88.67 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1884.0 | nM | Rattus norvegicus |
| Cmax | 366.0 | nM | Rattus norvegicus |
| Cmax | 366.0 | nM | - |
| Cmax | 1884.0 | nM | - |
| F | 26.0 | % | Rattus norvegicus |
| F | 4.0 | % | Rattus norvegicus |
| F | 26.0 | % | Eutheria |
| F | 4.0 | % | Eutheria |
| T1/2 | 5.9 | hr | Rattus norvegicus |
| Tmax | 0.25 | hr | Rattus norvegicus |
| Tmax | 1.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 5.0 | nM | 8.3 | Binding affinity was determined against corticotropin releasing factor receptor ... | 10072680 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 12.0 | nM | 7.92 | Binding affinity for human recombinant corticotropin releasing factor receptor 1 | 10072679 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 12.0 | nM | 7.92 | Inhibition of binding of the radioligand, [125 I-Tyr0]-CRF to rat cerebral corte... | 10794681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072679 | 10.1021/jm980222w | Rattus norvegicus | 6 |
| 10794681 | 10.1021/jm990590f | ADMET | 4 |
| 10072679 | 10.1021/jm980222w | ADMET | 2 |
| 10072679 | 10.1021/jm980222w | Corticotropin-releasing factor receptor 1 | 1 |
| 10072680 | 10.1021/jm980223o | Corticotropin-releasing factor receptor 1 | 1 |
| 10794681 | 10.1021/jm990590f | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine