Compound Detail
CHEMBL190845
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Basic Information
| ChEMBL ID | CHEMBL190845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGVFYKDWYYUFDD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
7
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.29
ALogP
6
HBA
0
HBD
52.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.15
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6.0 | hr | Rattus norvegicus |
| CL | 53.4 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 902.36 | nM | Rattus norvegicus |
| Cmax | 1180.0 | ng g-1 | Rattus norvegicus |
| F | 30.0 | % | Rattus norvegicus |
| T1/2 | 16.0 | hr | Rattus norvegicus |
| Vd | 7.2 | 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 | = | 2.0 | nM | 8.7 | Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyr... | 16078829 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 71.0 | nM | 7.15 | Inhibition of CRF stimulated cAMP production in CHO cells expressing CRF1 recept... | 16078829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078829 | 10.1021/jm050384+ | ADMET | 7 |
| 16078829 | 10.1021/jm050384+ | Corticotropin-releasing factor receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine