Compound Detail
CHEMBL2396864
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
CCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL2396864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSBWUAILNLVADI-JTHBVZDNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.0
MW (Da)
4.45
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 5.41 | 5.41 | 3902.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 16.0 | nM | 7.8 | Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition ... | 23719231 |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 3902.0 | nM | 5.41 | Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition ... | 23719231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23719231 | 10.1016/j.bmcl.2013.04.071 | Orexin receptor type 2 | 1 |
| 23719231 | 10.1016/j.bmcl.2013.04.071 | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine