Compound Detail
CHEMBL3814983
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CC1CCc2c(nc3cc(Cl)ccc3c2NCCCCCCNc2c3c(nc4cc(Cl)ccc24)CC(C)CC3)C1
Basic Information
| ChEMBL ID | CHEMBL3814983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICGFWVINGGGKCV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
9.42
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Antimalarial activity against chloroquine-sensitive ring-stage Plasmodium falcip... | 27316542 |
| ADMET | IC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against mouse J774.1 cells after 24 hrs by AlamarBlue based cytotox... | 27316542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27316542 | 10.1016/j.bmc.2016.06.003 | Plasmodium falciparum | 1 |
| 27316542 | 10.1016/j.bmc.2016.06.003 | ADMET | 1 |
| 27316542 | 10.1016/j.bmc.2016.06.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine