Compound Detail
CHEMBL5904097
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CC(C)COc1ccc(COC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCN(C)C[C@@H]2F)cc1
Basic Information
| ChEMBL ID | CHEMBL5904097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIFBDFWIYRWTRY-BJKOFHAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
5.04
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.6 | 9.6 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.251 | nM | 9.6 | Receptor Selection and Amplification (R-SAT) Assays: R-SAT's were generally perf... | - |
Data from ChEMBL 36 via Core Engine