Compound Detail
CHEMBL186097
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Basic Information
| ChEMBL ID | CHEMBL186097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVEZDGRGPISTDT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.52
ALogP
7
HBA
1
HBD
79.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 9.09 | 9.09 | 0.8 | 2 |
| Corticotropin releasing factor receptor CHEMBL2111360 | IC50 | 7.41 | 7.41 | 38.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 27.83 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 24.0 | % | Canis lupus familiaris |
| T1/2 | 27.6 | hr | Canis lupus familiaris |
| Vd | 1.67 | L.kg-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.82 | nM | 9.09 | Inhibition of [125I]ovine-CRF binding to corticotropin releasing factor receptor... | 15509177 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.82 | nM | 9.09 | Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogen... | 17402721 |
| Corticotropin releasing factor receptor | IC50 | = | 38.7 | nM | 7.41 | Inhibition of corticotropin releasing factor-induced ACTH release from rat pitui... | 15509177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15509177 | 10.1021/jm049737f | ADMET | 10 |
| 15509177 | 10.1021/jm049737f | Corticotropin-releasing factor receptor 1 | 4 |
| 15509177 | 10.1021/jm049737f | Rattus norvegicus | 3 |
| 15509177 | 10.1021/jm049737f | Corticotropin releasing factor receptor | 1 |
| 15509177 | 10.1021/jm049737f | Adenosine receptor A3 | 1 |
| 15509177 | 10.1021/jm049737f | Cannabinoid receptor 1 | 1 |
| 15509177 | 10.1021/jm049737f | Vasopressin V1 receptor | 1 |
| 17402721 | 10.1021/jm0611410 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine