Compound Detail
CHEMBL1272044
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
Basic Information
| ChEMBL ID | CHEMBL1272044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCAHIOPGTKCNLT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.42
ALogP
8
HBA
1
HBD
103.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 316.23 | nM | 6.5 | Antagonist activity against human orexin 2 receptor expressed in CHO cells asses... | 20933413 |
| Orexin/Hypocretin receptor type 1 | Ki | = | 3162.28 | nM | 5.5 | Antagonist activity against human orexin 1 receptor expressed in CHO cells asses... | 20933413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20933413 | 10.1016/j.bmcl.2010.09.090 | Orexin/Hypocretin receptor type 1 | 1 |
| 20933413 | 10.1016/j.bmcl.2010.09.090 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine