Compound Detail
CHEMBL2435702
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O=c1c(NCCCCNc2ccnc3cc(Cl)ccc23)c(NCCCCNc2ccnc3cc(Cl)ccc23)c1=O
Basic Information
| ChEMBL ID | CHEMBL2435702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSVYXYNWPRBIEB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
577.5
MW (Da)
6.29
ALogP
8
HBA
4
HBD
108.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.02 | 7.02 | 95.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 95.0 | nM | 7.02 | Antiplasmodial activity against ring stage of chloroquine-resistant Plasmodium f... | 24077527 |
| Plasmodium falciparum | IC50 | = | 95.0 | nM | 7.02 | Antimalarial activity against Plasmodium falciparum W2 assessed as inhibition of... | 25913864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Unchecked | 2 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | HEK-293T | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | NIH3T3 | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Plasmodium falciparum | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Papain | 1 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine