Compound Detail
CHEMBL402815
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COc1cc2c(cc1OC)[C@@H](CCC[C@H]1c3cc(OC)c(OC)cc3CCN1C)N(C)CC2.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL402815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONUWCFFFUATGDI-AJFFIPFFSA-N |
| Parent Compound | CHEMBL1185254 |
| Active Moiety | CHEMBL1185254 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
4.65
ALogP
6
HBA
0
HBD
43.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.85 | 5.85 | 1422.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1422.0 | nM | 5.85 | Inhibition of apamin-sensitive SK channel | 18436444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18436444 | 10.1016/j.bmcl.2008.03.069 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine