Compound Detail
CHEMBL3958101
CVN-766 Phase I
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Phase I
Basic Information
| ChEMBL ID | CHEMBL3958101 |
| Name | CVN-766 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | UFGCLPDMIZHEED-KBPBESRZSA-N |
2
Targets
6
Activities
2
Assay Types
10
PK Parameters
4
Publications
2
Known Names
Molecular Properties
446.4
MW (Da)
2.80
ALogP
8
HBA
2
HBD
110.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 4 meas. best 8.1
Ki 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 8.1 | 7.9125 | 8.0 | 4 |
| Orexin receptor type 2 CHEMBL4792 | Ki | 4.89 | 4.89 | 12882.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 13.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 3.0 | mL.min-1.g-1 | Mus musculus |
| CL | 18.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.2 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 18.0 | % | Rattus norvegicus |
| F | 77.0 | % | Canis lupus familiaris |
| T1/2 | 2.2 | hr | Homo sapiens |
| Tmax | 1.0 | hr | Rattus norvegicus |
| Vd | 1.02 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | Ki | = | 7.244 | nM | 8.14 | Displacement of 3H-SB-674042 from human Ox1R expressed in CHO cell membranes by ... | 38295907 |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 8.0 | nM | 8.1 | Antagonist activity at human Ox1R overexpressed in rat Chem-1 cells assessed as ... | 38295907 |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 14.0 | nM | 7.85 | Fluorescent Imaging Plate Reader (FLIPR) Assay: Orexin antagonist activity was d... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 14.0 | nM | 7.85 | FLIPR Assay: Orexin antagonist activity was determined by measuring changes in i... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 14.0 | nM | 7.85 | FLIPR Assay: Orexin antagonist activity was determined by measuring changes in i... | - |
| Orexin receptor type 2 | Ki | = | 12882.5 | nM | 4.89 | Binding affinity to Ox2R (unknown origin) | 38295907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38295907 | 10.1016/j.bmcl.2024.129629 | ADMET | 13 |
| 38295907 | 10.1016/j.bmcl.2024.129629 | Orexin/Hypocretin receptor type 1 | 5 |
| 38295907 | 10.1016/j.bmcl.2024.129629 | Orexin receptor type 2 | 2 |
| 38295907 | 10.1016/j.bmcl.2024.129629 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine