Compound Detail
CHEMBL5405864
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
CNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(N(C)C(=O)Cc2cccc(OC)c2)CCC3)c1
Basic Information
| ChEMBL ID | CHEMBL5405864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFTYHVCWEKQDJQ-FOWTUZBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
577.7
MW (Da)
4.34
ALogP
6
HBA
2
HBD
114.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | EC50 | 6.3 | 6.3 | 501.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | EC50 | = | 501.0 | nM | 6.3 | Agonist activity at human OX1R expressed in CHO-K1 cells assessed as increase in... | 37043436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37043436 | 10.1021/acs.jmedchem.2c01773 | Orexin/Hypocretin receptor type 1 | 2 |
| 37043436 | 10.1021/acs.jmedchem.2c01773 | Orexin receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine