Compound Detail
CHEMBL3667561
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Basic Information
| ChEMBL ID | CHEMBL3667561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABBWCZLJPRXWMF-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
3.96
ALogP
4
HBA
1
HBD
66.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
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/Hypocretin receptor type 1 | IC50 | = | 22.0 | nM | 7.66 | In Vitro Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-1 ... | - |
Data from ChEMBL 36 via Core Engine