Compound Detail
CHEMBL1255725
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Basic Information
| ChEMBL ID | CHEMBL1255725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVSHCQFBXVWNJB-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
0.39
ALogP
9
HBA
0
HBD
89.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.1
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.1 | 7.01 | 80.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 4.62 | 4.62 | 24000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 20.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 56.0 | mL.min-1.g-1 | Mus musculus |
| T1/2 | 1.45 | hr | Homo sapiens |
| T1/2 | 0.5167 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 80.0 | nM | 7.1 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 20822904 |
| Plasmodium falciparum | IC50 | = | 80.0 | nM | 7.1 | Antimalarial activity against Plasmodium falciparum 3D7 infected HEK293 cells by... | 30715882 |
| Plasmodium falciparum | IC50 | = | 80.0 | nM | 7.1 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human red bl... | 33759519 |
| Plasmodium falciparum | EC50 | = | 120.0 | nM | 6.92 | Antimalarial activity against Plasmodium falciparum Dd2 infected in human erythr... | 20822904 |
| HEK293 | EC50 | = | 24000.0 | nM | 4.62 | Cytotoxicity against HEK293 cells | 20822904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30715882 | 10.1021/acs.jmedchem.8b01799 | ADMET | 6 |
| 20822904 | 10.1016/j.bmcl.2010.08.065 | Plasmodium falciparum | 2 |
| 30715882 | 10.1021/acs.jmedchem.8b01799 | No relevant target | 2 |
| 20822904 | 10.1016/j.bmcl.2010.08.065 | HEK293 | 1 |
| 30715882 | 10.1021/acs.jmedchem.8b01799 | Plasmodium falciparum | 1 |
| 33759519 | 10.1021/acs.jmedchem.1c00044 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine