Compound Detail
CHEMBL2165201
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Basic Information
| ChEMBL ID | CHEMBL2165201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEUNBWHGEZKYSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.3
MW (Da)
3.51
ALogP
7
HBA
1
HBD
74.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.03 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 4.3 | nM | 8.37 | Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gam... | 23010264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23010264 | 10.1016/j.bmcl.2012.08.112 | Liver microsomes | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine