Compound Detail
CHEMBL2435704
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O=C(NCCNc1ccnc2cc(Cl)ccc12)[C@H](Cc1ccccc1)Nc1c(N[C@@H](Cc2ccccc2)C(=O)NCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O
Basic Information
| ChEMBL ID | CHEMBL2435704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKNHFOBVODXQFV-UWXQCODUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
815.8
MW (Da)
6.19
ALogP
10
HBA
6
HBD
166.2
PSA (Ų)
0.04
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 710.0 | nM | 6.15 | Antiplasmodial activity against ring stage of chloroquine-resistant Plasmodium f... | 24077527 |
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 |
Data from ChEMBL 36 via Core Engine