Compound Detail
CHEMBL362453
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Basic Information
| ChEMBL ID | CHEMBL362453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYBPBURKXDRONN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
7
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.0
MW (Da)
6.43
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.14 | 8.14 | 7.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1013.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 27.7 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 651.71 | nM | Rattus norvegicus |
| F | 84.0 | % | Rattus norvegicus |
| T1/2 | 3.3 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
| Vd | 7.8 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 7.3 | nM | 8.14 | Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing fa... | 15743196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743196 | 10.1021/jm049339c | ADMET | 8 |
| 15743196 | 10.1021/jm049339c | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine