Compound Detail
CHEMBL5568798
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
Cc1nc(C(=O)N2CCC[C@H]2Cc2cccc(-n3nccn3)c2)c(-c2ccc3c(c2)OCO3)s1
Basic Information
| ChEMBL ID | CHEMBL5568798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMTPFVJZEZVSIP-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
4.28
ALogP
8
HBA
0
HBD
82.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Orexin receptor type 2 CHEMBL4792 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 3.6 | nM | 8.44 | Antagonist activity at human OX1R expressed in CHO cells preincubated for 120 mi... | 38331429 |
| Orexin receptor type 2 | IC50 | = | 12.0 | nM | 7.92 | Antagonist activity at human OX2R expressed in CHO cells preincubated for 120 mi... | 38331429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38331429 | 10.1021/acs.jmedchem.3c01894 | Orexin/Hypocretin receptor type 1 | 1 |
| 38331429 | 10.1021/acs.jmedchem.3c01894 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine