Compound Detail
CHEMBL189089
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Basic Information
| ChEMBL ID | CHEMBL189089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYSNALHFMZZUFA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.42
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.04
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 9.04 | 9.04 | 0.9 | 2 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.92 | nM | 9.04 | Inhibition of [125I]ovine-CRF binding to corticotropin releasing factor receptor... | 15509177 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.92 | nM | 9.04 | Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogen... | 17402721 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 4.0 | nM | 8.4 | Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK2... | 26456805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15509177 | 10.1021/jm049737f | Corticotropin-releasing factor receptor 1 | 1 |
| 17402721 | 10.1021/jm0611410 | Corticotropin-releasing factor receptor 1 | 1 |
| 26456805 | 10.1016/j.bmcl.2015.10.010 | Corticotropin-releasing factor receptor 1 | 1 |
| 26456805 | 10.1016/j.bmcl.2015.10.010 | Corticotropin-releasing factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine