Compound Detail
CHEMBL6207
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c1ccc2c(c1)c1cc[n+]2Cc2ccc3c(c2)Cc2cc(ccc2-3)C[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1
Basic Information
| ChEMBL ID | CHEMBL6207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTPOJZQDRYWGAK-QEXFJYHKSA-P |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
618.9
MW (Da)
9.19
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 2 CHEMBL2547 | IC50 | 7.05 | 7.05 | 90.0 | 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 | IC50 | = | 90.0 | nM | 7.05 | Inhibitory concentration of compound required for SKCa blocking action was asses... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00568-9 | Small conductance calcium-activated potassium channel protein 2 | 1 |
| - | 10.1016/S0960-894X(96)00568-9 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine