Compound Detail
CHEMBL1272307
SB-649868 🧪 Phase II
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🧪 Phase II
Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL1272307 |
| Name | SB-649868 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZJXIUGNEAIHSBI-IBGZPJMESA-N |
4
Targets
11
Activities
1
Assay Types
12
PK Parameters
20
Publications
2
Known Names
2
Indications
2
Mechanisms
Molecular Properties
477.6
MW (Da)
5.43
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Orexin receptor 1 antagonist | ANTAGONIST | Orexin/Hypocretin receptor type 1 | ✓ | ✓ |
| Orexin receptor 2 antagonist | ANTAGONIST | Orexin receptor type 2 | ✓ | ✓ |
Indications
Sleep Wake Disorders Sleep Initiation and Maintenance Disorders
Activity Summary
Ki 11 meas. best 10.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL1275216 | Ki | 10.11 | 10.11 | 0.1 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL1075232 | Ki | 9.93 | 9.93 | 0.1 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 9.52 | 9.41 | 0.3 | 4 |
| Orexin receptor type 2 CHEMBL4792 | Ki | 9.4 | 9.032 | 0.4 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.7 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 15.1 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 697.29 | nM | Rattus norvegicus |
| F | 85.0 | % | Rattus norvegicus |
| Fu | 0.0528 | - | Rattus norvegicus |
| Fu | 0.0134 | - | Rattus norvegicus |
| T1/2 | 0.6 | hr | Rattus norvegicus |
| T1/2 | 3.4 | hr | Homo sapiens |
| T1/2 | 5.0 | hr | Homo sapiens |
| T1/2 | 39.0 | hr | Homo sapiens |
| T1/2 | 4.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine