Compound Detail
CHEMBL1836947
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Basic Information
| ChEMBL ID | CHEMBL1836947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCBGBGCTCSPORT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
4.64
ALogP
7
HBA
1
HBD
74.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.54
Ki 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Kd | 9.54 | 9.54 | 0.3 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 9.54 | 9.54 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.0 | ug ml-1 | Homo sapiens |
| CL | 38.0 | ug ml-1 | Rattus norvegicus |
| CL | 9.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 52.0 | % | Rattus norvegicus |
| T1/2 | 10.7 | hr | Homo sapiens |
| T1/2 | 10.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Kd | = | 0.291 | nM | 9.54 | Binding affinity to recombinant human CRF1 receptor expressed in CHO cells | 21889333 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 0.291 | nM | 9.54 | Antagonist activity at recombinant human CRF1 receptor expressed in CHO cells as... | 21889333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21889333 | 10.1016/j.bmcl.2011.08.040 | Corticotropin-releasing factor receptor 1 | 4 |
| 21889333 | 10.1016/j.bmcl.2011.08.040 | Rattus norvegicus | 4 |
| 21889333 | 10.1016/j.bmcl.2011.08.040 | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine