Compound Detail
CHEMBL1271878
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Basic Information
| ChEMBL ID | CHEMBL1271878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJFZUVMDXGSVKZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
4.87
ALogP
7
HBA
1
HBD
86.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 100.0 | nM | 7.0 | Antagonist activity against human orexin 2 receptor expressed in CHO cells asses... | 20933413 |
| Orexin/Hypocretin receptor type 1 | Ki | = | 1995.26 | nM | 5.7 | 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