Compound Detail
CHEMBL568606
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL568606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXVNLEPWBPMCOF-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.61
ALogP
7
HBA
0
HBD
65.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Kd 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.89 | 7.89 | 13.0 | 2 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Kd | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 172.0 | ug ml-1 | Homo sapiens |
| CL | 23.0 | ug ml-1 | Rattus norvegicus |
| CL | 172.0 | ug ml-1 | Homo sapiens |
| CL | 23.0 | ug ml-1 | Rattus norvegicus |
| T1/2 | 0.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 13.0 | nM | 7.89 | Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells as... | 19782566 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 13.0 | nM | 7.89 | Antagonist activity at recombinant human CRF1 receptor expressed in CHO cells as... | 21889333 |
| Corticotropin-releasing factor receptor 1 | Kd | = | 14.0 | nM | 7.85 | Binding affinity to recombinant human CRF1 receptor expressed in CHO cells | 21889333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21889333 | 10.1016/j.bmcl.2011.08.040 | Corticotropin-releasing factor receptor 1 | 4 |
| 19782566 | 10.1016/j.bmcl.2009.09.016 | Liver microsomes | 2 |
| 21889333 | 10.1016/j.bmcl.2011.08.040 | Liver microsomes | 2 |
| 19782566 | 10.1016/j.bmcl.2009.09.016 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine