Compound Detail
CHEMBL116403
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[I-].[I-].c1ccc2c(c1)c1cc[n+]2CCCCCCCCCC[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1
Basic Information
| ChEMBL ID | CHEMBL116403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEYHLJDZKZERNL-HDYZHHDRSA-N |
| Parent Compound | CHEMBL1180197 |
| Active Moiety | CHEMBL1180197 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.9
MW (Da)
9.35
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 260.0 | nM | 6.58 | tested for their ability to inhibit the after- hyperpolarization in cultured rat... | 11000001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11000001 | 10.1021/jm000904v | Rattus norvegicus | 1 |
| 11000001 | 10.1021/jm000904v | ADMET | 1 |
Data from ChEMBL 36 via Core Engine