Compound Detail
CHEMBL178949
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Basic Information
| ChEMBL ID | CHEMBL178949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSSCMHXZJCPICP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
7.61
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.85 | 7.85 | 14.1 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 33.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14.13 | nM | 7.85 | Displacement of [125I]o-CRF from recombinant human CRF receptors expressed in Ch... | 15946843 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 15.85 | nM | 7.8 | Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO ... | 17629700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15946843 | 10.1016/j.bmcl.2005.05.040 | ADMET | 3 |
| 15946843 | 10.1016/j.bmcl.2005.05.040 | Unchecked | 1 |
| 17629700 | 10.1016/j.bmcl.2007.06.077 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine