Compound Detail
CHEMBL385213
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C[N+](C)(C)Cc1ccc(-c2c3nc(c(-c4ccc(C[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C[N+](C)(C)C)cc4)c4nc2C=C4)C=C3)cc1.[Cl-].[Cl-].[Cl-].[Cl-]
Basic Information
| ChEMBL ID | CHEMBL385213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDFKTTFNYAKRTC-LKRSNDAUSA-J |
| Parent Compound | CHEMBL1185032 |
| Active Moiety | CHEMBL1185032 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
903.3
MW (Da)
12.15
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.0 | 4.9733 | 10000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity for relative cell viability compared to untreated control in CEF ce... | 12747777 |
| NON-PROTEIN TARGET | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity for relative cell viability compared to untreated control in BM2 ce... | 12747777 |
| NON-PROTEIN TARGET | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity for relative cell viability compared to untreated control in Primar... | 12747777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747777 | 10.1021/jm021060d | NON-PROTEIN TARGET | 3 |
| 12747777 | 10.1021/jm021060d | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine