Compound Detail
CHEMBL4650341
DANAVOREXTON 🧪 Phase II
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🧪 Phase II
COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4650341 |
| Name | DANAVOREXTON |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UXZAJSZFFARTEI-YRPNKDGESA-N |
1
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
2
Known Names
5
Indications
Molecular Properties
424.6
MW (Da)
2.88
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Idiopathic Hypersomnia Narcolepsy Narcolepsy Sleep Apnea Syndromes Sleep Apnea, Obstructive
Activity Summary
EC50 10 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | EC50 | 8.66 | 8.1229 | 2.2 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | EC50 | = | 2.2 | nM | 8.66 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.2 | nM | 8.66 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.2 | nM | 8.66 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.9 | nM | 8.54 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.9 | nM | 8.54 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 2.9 | nM | 8.54 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 5500.0 | nM | 5.26 | Agonist activity at human OX2R stably expressed in CHO cells | 34101446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35295087 | 10.1021/acsmedchemlett.1c00626 | ADMET | 7 |
| 34101446 | 10.1021/acs.jmedchem.1c00841 | Orexin/Hypocretin receptor type 1 | 1 |
| 34101446 | 10.1021/acs.jmedchem.1c00841 | Orexin receptor type 2 | 1 |
| 35295087 | 10.1021/acsmedchemlett.1c00626 | Orexin receptor type 2 | 1 |
| 35295087 | 10.1021/acsmedchemlett.1c00626 | Orexin/Hypocretin receptor type 1 | 1 |
| 35295087 | 10.1021/acsmedchemlett.1c00626 | Mus musculus | 1 |
| 35007725 | 10.1016/j.bmcl.2022.128530 | Orexin receptor type 2 | 1 |
| 35007725 | 10.1016/j.bmcl.2022.128530 | Unchecked | 1 |
| 35051577 | 10.1016/j.bmcl.2022.128555 | Orexin/Hypocretin receptor type 1 | 1 |
| 35051577 | 10.1016/j.bmcl.2022.128555 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine