Compound Detail
CHEMBL5759300
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CC(C)Oc1ccc(COC(=O)N(Cc2ccc(F)cc2F)C2CCN(CC(C)(C)C(=O)O)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5759300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEXUHNVYWCKIJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
5.47
ALogP
5
HBA
1
HBD
79.3
PSA (Ų)
0.45
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 3.16 | nM | 8.5 | Receptor Selection and Amplification (R-SAT) Assays: R-SAT's were generally perf... | - |
Data from ChEMBL 36 via Core Engine