Compound Detail
CHEMBL1807053
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Basic Information
| ChEMBL ID | CHEMBL1807053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSUFQBRCUSJTDO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
14
PK Parameters
20
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
4.97
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | Ki | 8.01 | 8.01 | 9.8 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4499.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4499.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 12.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 12.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1141.68 | nM | Rattus norvegicus |
| Cmax | 1141.68 | nM | Rattus norvegicus |
| F | 45.0 | % | Rattus norvegicus |
| F | 45.0 | % | Rattus norvegicus |
| T1/2 | 8.4 | hr | Rattus norvegicus |
| T1/2 | 8.4 | hr | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
| T1/2 | 2.0 | hr | Homo sapiens |
| Tmax | 4.0 | hr | Rattus norvegicus |
| Tmax | 4.0 | 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 | = | 1.0 | nM | 9.0 | Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IM... | 21618986 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 9.8 | nM | 8.01 | Displacement of [125I]-sauvagine from rat CRF-1 receptor expressed in rat cortic... | 21618986 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 93.0 | nM | 7.03 | Inhibition of human CRF-1 receptor expressed in human IMR-32 cells assessed as e... | 21618986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21618986 | 10.1021/jm200365y | Rattus norvegicus | 29 |
| 21618986 | 10.1021/jm200365y | Unchecked | 26 |
| 21618986 | 10.1021/jm200365y | Corticotropin-releasing factor receptor 1 | 4 |
| 21618986 | 10.1021/jm200365y | Nucleic Acid | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 21618986 | 10.1021/jm200365y | ADMET | 2 |
| 21618986 | 10.1021/jm200365y | Cannabinoid receptor 2 | 1 |
| 21618986 | 10.1021/jm200365y | Beta-2 adrenergic receptor | 1 |
| 21618986 | 10.1021/jm200365y | Sodium-dependent noradrenaline transporter | 1 |
| 21618986 | 10.1021/jm200365y | B1 bradykinin receptor | 1 |
| 21618986 | 10.1021/jm200365y | B2 bradykinin receptor | 1 |
| 21618986 | 10.1021/jm200365y | Calcitonin gene-related peptide type 1 receptor | 1 |
| 21618986 | 10.1021/jm200365y | Cannabinoid receptor 1 | 1 |
| 21618986 | 10.1021/jm200365y | Gastrin/cholecystokinin type B receptor | 1 |
| 21618986 | 10.1021/jm200365y | D(1A) dopamine receptor | 1 |
| 21618986 | 10.1021/jm200365y | D(3) dopamine receptor | 1 |
| 21618986 | 10.1021/jm200365y | Sodium-dependent dopamine transporter | 1 |
| 21618986 | 10.1021/jm200365y | Endothelin-1 receptor | 1 |
| 21618986 | 10.1021/jm200365y | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine