Compound Detail
CHEMBL1478755
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CN(C)c1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL1478755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZAVEAMNPDBFQD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1622802 |
| Active Moiety | CHEMBL1622802 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.90
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 28626.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 28626.0 | nM | 4.54 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine