Compound Detail
CHEMBL4958842
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Cn1c(Cc2n[n+]3c(-c4ccccc4)cc(-c4ccccc4)nc3n2C)n[n+]2c(-c3ccccc3)cc(-c3ccccc3)nc12
Basic Information
| ChEMBL ID | CHEMBL4958842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZCBCRDPPPSKDQ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
586.7
MW (Da)
5.68
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.63 | 6.365 | 234.0 | 4 |
| HepG2 CHEMBL395 | IC50 | 5.32 | 5.32 | 4790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 234.0 | nM | 6.63 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 257.0 | nM | 6.59 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 331.0 | nM | 6.48 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 1740.0 | nM | 5.76 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
| HepG2 | IC50 | = | 4790.0 | nM | 5.32 | Hit confirmation in dose-response curve in HepG2 cytotoxicity assay, at 72h | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 8 |
| - | 10.6019/CHEMBL4888484 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine