Compound Detail
CHEMBL3667600
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Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL3667600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FONPGCAGFNPFCY-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.9
MW (Da)
4.77
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 19.0 | nM | 7.72 | In Vitro Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-1 ... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 48.0 | nM | 7.32 | In Vitro Assay: Chinese hamster ovary (CHO) cells expressing the human orexin-1 ... | - |
Data from ChEMBL 36 via Core Engine