Compound Detail
CHEMBL10504
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Basic Information
| ChEMBL ID | CHEMBL10504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMJNPPHUVMMIEQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
18
PK Parameters
10
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
3.50
ALogP
8
HBA
0
HBD
78.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.43 | 8.43 | 3.7 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 45.41 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 423.71 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 7.967 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 50.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.967 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 30.0 | nM | Rattus norvegicus |
| Cmax | 307.6 | nM | Canis lupus familiaris |
| Cmax | 30.0 | nM | Rattus norvegicus |
| Cmax | 307.6 | nM | Canis lupus familiaris |
| F | 17.0 | % | Rattus norvegicus |
| F | 30.7 | % | Canis lupus familiaris |
| F | 307.6 | % | Canis lupus familiaris |
| F | 17.0 | % | Rattus norvegicus |
| T1/2 | 33.2 | hr | Canis lupus familiaris |
| T1/2 | 7.6 | hr | Rattus norvegicus |
| T1/2 | 33.2 | hr | Canis lupus familiaris |
| Tmax | 0.67 | hr | Canis lupus familiaris |
| Tmax | 0.67 | 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 | = | 3.7 | nM | 8.43 | Binding affinity to recombinant human Corticotropin releasing factor receptor 1 ... | 10072681 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 3.7 | nM | 8.43 | Antagonistic activity for Corticotropin releasing factor receptor 1 | 10230641 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 3.7 | nM | 8.43 | Compound was tested for the inhibition of binding of the radioligand, [125 I-Tyr... | 10794681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072681 | 10.1021/jm980224g | Canis familiaris | 6 |
| 10794681 | 10.1021/jm990590f | Canis familiaris | 5 |
| 10072681 | 10.1021/jm980224g | Rattus norvegicus | 3 |
| 10794681 | 10.1021/jm990590f | Rattus norvegicus | 3 |
| 10072681 | 10.1021/jm980224g | ADMET | 2 |
| 10794681 | 10.1021/jm990590f | ADMET | 2 |
| 10072681 | 10.1021/jm980224g | Corticotropin-releasing factor receptor 1 | 1 |
| 10072681 | 10.1021/jm980224g | No relevant target | 1 |
| 10230641 | 10.1016/s0960-894x(99)00133-x | Corticotropin-releasing factor receptor 1 | 1 |
| 10794681 | 10.1021/jm990590f | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine