Compound Detail
CHEMBL1172520
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
O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@@H]2C[C@H](C1)N(c1ncc3cc(F)ccc3n1)C2
Basic Information
| ChEMBL ID | CHEMBL1172520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVXSUZLOKRFHBC-KBXCAEBGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.9
MW (Da)
3.35
ALogP
7
HBA
0
HBD
80.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Orexin receptor type 2 CHEMBL4792 | Ki | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | Ki | = | 0.4 | nM | 9.4 | Binding affinity to OX1R | 20610153 |
| Orexin receptor type 2 | Ki | = | 0.6 | nM | 9.22 | Binding affinity to OX2R | 20610153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20610153 | 10.1016/j.bmcl.2010.05.047 | Orexin receptor type 2 | 1 |
| 20610153 | 10.1016/j.bmcl.2010.05.047 | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine