Compound Detail
CHEMBL3137555
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Fc1ccc([C@@H]2[C@@H](Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)CN2C2CC2)cc1F
Basic Information
| ChEMBL ID | CHEMBL3137555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHJQMHNZFFDXED-SIKLNZKXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.4
MW (Da)
4.64
ALogP
7
HBA
0
HBD
64.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.14 | 6.14 | 730.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 730.8 | nM | 6.14 | OSM: Erythrocyte assay. NF54 with 3H-Hypoxanthine at 72hr time point. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3137547 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine