Compound Detail
CHEMBL533269
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Cc1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1-c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL533269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFHDGHFNTKVFPI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
11
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.83
ALogP
7
HBA
1
HBD
87.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum K1 CHEMBL612856 | IC50 | 6.82 | 6.82 | 152.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.61 | 6.535 | 245.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CLint | 60.0 | uL min-1 mg-1 | Homo sapiens |
| T1/2 | 0.4833 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum K1 | IC50 | = | 152.0 | nM | 6.82 | OSM: Inhibition of Plasmodium falciparum K1 growth. IC50 values determined from ... | - |
| Plasmodium falciparum | IC50 | = | 245.0 | nM | 6.61 | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluores... | - |
| Plasmodium falciparum | IC50 | = | 345.0 | nM | 6.46 | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2113921 | ADMET | 5 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum | 3 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| - | 10.6019/CHEMBL2113921 | HEK293 | 1 |
| - | 10.6019/CHEMBL2113921 | Plasmodium berghei | 1 |
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum K1 | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
Data from ChEMBL 36 via Core Engine