Compound Detail
CHEMBL539613
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cl.Cl.N=C(NC1CCCC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CCCC4)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL539613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFKWAXGCYMVNPT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL535664 |
| Active Moiety | CHEMBL535664 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.73
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.52 | 7.8167 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.0 | nM | 8.52 | In vitro antiparasitic activity against chloroquine-sensitive Plasmodium falcipa... | 15115412 |
| Plasmodium falciparum | IC50 | = | 4.0 | nM | 8.4 | In vitro antiparasitic activity against chloroquine-resistant Plasmodium falcipa... | 15115412 |
| Plasmodium falciparum | IC50 | = | 297.0 | nM | 6.53 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 b... | 17533134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115412 | 10.1021/jm030545e | Plasmodium falciparum | 2 |
| 15115412 | 10.1021/jm030545e | A549 | 1 |
| 15115412 | 10.1021/jm030545e | Calf thymus DNA | 1 |
| 15115412 | 10.1021/jm030545e | Nucleic Acid | 1 |
| 17533134 | 10.1016/j.bmc.2007.05.034 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine