Compound Detail
CHEMBL77006
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 | CHEMBL77006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUOJTRGJQKOMQD-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.8
MW (Da)
6.12
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.52
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.52 | 7.2133 | 30.0 | 3 |
| Homo sapiens CHEMBL372 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 30.0 | nM | 7.52 | Inhibition of [125I]CRF binding to human Corticotropin releasing factor receptor... | 8893829 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 30.0 | nM | 7.52 | Inhibition of [125I]CRH binding to human Corticotropin releasing factor receptor... | 10395475 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 253.0 | nM | 6.6 | Inhibition of [125I]CRH binding to human Corticotropin releasing factor receptor... | 10395475 |
| Homo sapiens | IC50 | = | 3700.0 | nM | 5.43 | Compound was evaluated for the inhibition of CRF-stimulated cyclic adenosine mon... | 8893829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395475 | 10.1021/jm9900117 | Corticotropin-releasing factor receptor 1 | 2 |
| 8893829 | 10.1021/jm960149e | Corticotropin-releasing factor receptor 1 | 1 |
| 8893829 | 10.1021/jm960149e | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine