Compound Detail
CHEMBL3667549
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Basic Information
| ChEMBL ID | CHEMBL3667549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGCRLIFVACLEJF-ZDUSSCGKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
4.02
ALogP
5
HBA
1
HBD
66.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 7.7 | 7.69 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 10.0 | nM | 8.0 | In Vitro Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-1 ... | - |
| Orexin receptor type 2 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition ... | 26317591 |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 20.0 | nM | 7.7 | In Vitro Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-1 ... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 21.0 | nM | 7.68 | Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition ... | 26317591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26317591 | 10.1021/acs.jmedchem.5b00832 | Orexin/Hypocretin receptor type 1 | 1 |
| 26317591 | 10.1021/acs.jmedchem.5b00832 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine