Compound Detail
CHEMBL2179195
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 | CHEMBL2179195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKMSLJYQGXJIQH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
8
PK Parameters
6
Publications
0
Known Names
Molecular Properties
503.7
MW (Da)
5.41
ALogP
9
HBA
0
HBD
66.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 8.15 | 7.655 | 7.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1240.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1580.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 32.17 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 220.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 1072.13 | nM | Rattus norvegicus |
| F | 23.0 | % | Rattus norvegicus |
| T1/2 | 5.2 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 7.1 | nM | 8.15 | Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition... | 22971011 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 70.0 | nM | 7.16 | Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells aft... | 22971011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22971011 | 10.1021/jm300864p | Rattus norvegicus | 10 |
| 22971011 | 10.1021/jm300864p | Mus musculus | 2 |
| 22971011 | 10.1021/jm300864p | Corticotropin-releasing factor receptor 1 | 2 |
| 22971011 | 10.1021/jm300864p | Corticotropin-releasing factor receptor 2 | 1 |
| 22971011 | 10.1021/jm300864p | No relevant target | 1 |
| 22971011 | 10.1021/jm300864p | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine