Compound Detail
CHEMBL1182643
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COc1cc2c(cc1OC)[C@@H](CCC[C@@H]1c3cc(OC)c(OC)cc3CCN1C)N(C)CC2
Basic Information
| ChEMBL ID | CHEMBL1182643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MULXFGRQRGZGNO-DHIUTWEWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
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 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 2 CHEMBL4469 | Ki | 5.9 | 5.9 | 1256.0 | 1 |
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | Ki | 5.79 | 5.79 | 1625.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 2 | Ki | = | 1256.0 | nM | 5.9 | Displacement of [125I]apamin from SK2 (unknown origin) expressed in HEK293 cells... | 38352826 |
| Small conductance calcium-activated potassium channel protein 3 | Ki | = | 1625.0 | nM | 5.79 | Displacement of [125I]apamin from SK3 (unknown origin) expressed in HEK293 cells... | 38352826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38352826 | 10.1021/acsmedchemlett.3c00452 | Small conductance calcium-activated potassium channel protein 2 | 1 |
| 38352826 | 10.1021/acsmedchemlett.3c00452 | Small conductance calcium-activated potassium channel protein 3 | 1 |
| 38352826 | 10.1021/acsmedchemlett.3c00452 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine