Compound Detail
CHEMBL168449
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Basic Information
| ChEMBL ID | CHEMBL168449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVAQMBKVKIZPPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
9
PK Parameters
5
Publications
0
Known Names
Molecular Properties
495.4
MW (Da)
5.06
ALogP
7
HBA
0
HBD
69.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 67.87 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 181.18 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 8.717 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 12.5 | nM | Rattus norvegicus |
| Cmax | 39.04 | nM | Canis lupus familiaris |
| F | 15.5 | % | Rattus norvegicus |
| F | 7.3 | % | Canis lupus familiaris |
| T1/2 | 46.7 | hr | Canis lupus familiaris |
| Tmax | 0.8 | hr | Canis lupus familiaris |
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 to recombinant human Corticotropin releasing factor receptor 1 ... | 10072681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072681 | 10.1021/jm980224g | Canis familiaris | 6 |
| 10072681 | 10.1021/jm980224g | Rattus norvegicus | 3 |
| 10072681 | 10.1021/jm980224g | ADMET | 2 |
| 10072681 | 10.1021/jm980224g | Corticotropin-releasing factor receptor 1 | 1 |
| 10072681 | 10.1021/jm980224g | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine