Compound Detail
CHEMBL559437
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Basic Information
| ChEMBL ID | CHEMBL559437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLFAZPBXJQLULP-HNNXBMFYSA-N |
2
Targets
4
Activities
1
Assay Types
12
PK Parameters
13
Publications
0
Known Names
Molecular Properties
377.9
MW (Da)
3.86
ALogP
6
HBA
1
HBD
65.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 9.59 | 9.59 | 0.3 | 3 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 136.03 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 154.93 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 170.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.0 | mL.min-1.kg-1 | Macaca fascicularis |
| Cmax | 52.0 | nM | Rattus norvegicus |
| Cmax | 32.0 | nM | Macaca fascicularis |
| F | 14.0 | % | Rattus norvegicus |
| F | 2.0 | % | Macaca fascicularis |
| Fu | 0.021 | - | Rattus norvegicus |
| Fu | 0.021 | - | Rattus norvegicus |
| T1/2 | 18.0 | hr | Rattus norvegicus |
| T1/2 | 9.3 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.26 | nM | 9.59 | Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapi... | 19552436 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.26 | nM | 9.59 | Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... | 19552437 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.26 | nM | 9.59 | Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gam... | 23010264 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 1.9 | nM | 8.72 | Antagonist activity at CRF1 receptor in human Y79 cells assessed as inhibition o... | 19552437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19552437 | 10.1021/jm900301y | Rattus norvegicus | 20 |
| 19552437 | 10.1021/jm900301y | Cynomolgus monkey | 6 |
| 19552437 | 10.1021/jm900301y | Corticotropin-releasing factor receptor 1 | 4 |
| 19552437 | 10.1021/jm900301y | Unchecked | 2 |
| 19552437 | 10.1021/jm900301y | Liver microsomes | 2 |
| 23010264 | 10.1016/j.bmcl.2012.08.112 | Liver microsomes | 2 |
| 19552436 | 10.1021/jm900302q | Corticotropin-releasing factor receptor 1 | 1 |
| 19552437 | 10.1021/jm900301y | No relevant target | 1 |
| 19552437 | 10.1021/jm900301y | Plasma | 1 |
| 23010264 | 10.1016/j.bmcl.2012.08.112 | Plasma | 1 |
| 23010264 | 10.1016/j.bmcl.2012.08.112 | No relevant target | 1 |
| 23010264 | 10.1016/j.bmcl.2012.08.112 | Corticotropin-releasing factor receptor 1 | 1 |
| 22533875 | 10.1021/jm300343m | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine