Compound Detail
CHEMBL43216
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Basic Information
| ChEMBL ID | CHEMBL43216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNVSRSDTBMVGER-UHFFFAOYSA-N |
| Parent Compound | CHEMBL424204 |
| Active Moiety | CHEMBL424204 |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.3
MW (Da)
2.95
ALogP
8
HBA
0
HBD
72.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | Ki | 7.37 | 7.37 | 43.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 2698.0 | nM | - |
| Cmax | 753.0 | nM | - |
| Cmax | 730.0 | nM | - |
| F | 20.0 | % | Rattus norvegicus |
| T1/2 | 6.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 32.0 | nM | 7.5 | Inhibition of binding of the radioligand, [125 I-Tyr0]-CRF to rat cerebral corte... | 10794681 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 43.0 | nM | 7.37 | Binding affinity was determined against corticotropin releasing factor receptor ... | 10072680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794681 | 10.1021/jm990590f | ADMET | 5 |
| 10072680 | 10.1021/jm980223o | Corticotropin-releasing factor receptor 1 | 1 |
| 10794681 | 10.1021/jm990590f | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine