Compound Detail
CHEMBL2431813
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Basic Information
| ChEMBL ID | CHEMBL2431813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXVWUOGTNBZIEZ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.63
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.0
IC50 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 10.0 | 8.55 | 0.1 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 10.0 | 8.6967 | 0.1 | 3 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.245 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 0.1 | nM | 10.0 | Antiplasmodial activity against Plasmodium falciparum after 72 hrs by MSF assay | 23927720 |
| Plasmodium falciparum | IC50 | = | 0.1 | nM | 10.0 | Antiplasmodial activity against Plasmodium falciparum D6 infected in human Eryth... | 29360043 |
| Plasmodium falciparum | IC50 | = | 1.0 | nM | 9.0 | Antiplasmodial activity against Plasmodium falciparum Dd2 infected in human Eryt... | 29360043 |
| Plasmodium falciparum | EC50 | = | 80.0 | nM | 7.1 | Antiplasmodial activity against atovaquone-resistant Plasmodium falciparum Tm90.... | 23927720 |
| Plasmodium falciparum | IC50 | = | 81.0 | nM | 7.09 | Antiplasmodial activity against Plasmodium falciparum Tm90-C2B infected in human... | 29360043 |
| Toxoplasma gondii | EC50 | = | 6000.0 | nM | 5.22 | Antiparasitic activity against Toxoplasma gondii infected in HFF cells incubated... | 34894691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29360043 | 10.1016/j.ejmech.2018.01.039 | Plasmodium falciparum | 3 |
| 23927720 | 10.1021/jm400314m | Plasmodium falciparum | 2 |
| 23927720 | 10.1021/jm400314m | ADMET | 1 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | Toxoplasma gondii | 1 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | Plasmodium falciparum | 1 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine