Compound Detail
CHEMBL2030043
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O=c1cc(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(N3CCNCC3)ccc12
Basic Information
| ChEMBL ID | CHEMBL2030043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMMZSXJYUXKASB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
5.09
ALogP
4
HBA
2
HBD
57.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.35 | 6.35 | 443.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 443.0 | nM | 6.35 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 | 22364416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364416 | 10.1021/jm201179h | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine