Compound Detail
CHEMBL135990
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Nc1cc[n+](Cc2ccc(-c3ccc(-c4ccc(C[n+]5ccc(N)c6ccccc65)cc4)cc3)cc2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL135990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMXKRNNWEVUXHF-UHFFFAOYSA-P |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
7.16
ALogP
2
HBA
2
HBD
59.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of after-hyperpolarization (AHP) in cultured rat sympathetic neurons | 8863802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863802 | 10.1021/jm950884a | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine