Compound Detail
CHEMBL1257903
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Basic Information
| ChEMBL ID | CHEMBL1257903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKKWZNMLWCLVQI-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
3
PK Parameters
13
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
4.17
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.82 | 7.076 | 15.3 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 17.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.355 | hr | Mus musculus |
| T1/2 | 2.138 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 15.3 | nM | 7.82 | Antimalarial activity against multi-drug-resistant Plasmodium falciparum TM90-C2... | 25148516 |
| Plasmodium falciparum | EC50 | = | 26.2 | nM | 7.58 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 20828199 |
| Plasmodium falciparum | EC50 | = | 26.2 | nM | 7.58 | Antimalarial activity against multi-drug-resistant Plasmodium falciparum W2 infe... | 25148516 |
| Plasmodium falciparum | EC50 | = | 26.2 | nM | 7.58 | Antimalarial activity against blood stage multi drug-resistant Plasmodium falcip... | 35033884 |
| Plasmodium falciparum | EC50 | = | 15300.0 | nM | 4.82 | Antimalarial activity against chloroquine, mefloquine, pyrimethamine and atovaqu... | 20828199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25148516 | 10.1021/jm500942v | Plasmodium berghei | 5 |
| 20828199 | 10.1021/jm1007903 | ADMET | 4 |
| 20828199 | 10.1021/jm1007903 | Plasmodium falciparum | 3 |
| 20828199 | 10.1021/jm1007903 | No relevant target | 2 |
| 25148516 | 10.1021/jm500942v | Plasmodium falciparum | 2 |
| 35033884 | 10.1016/j.bmc.2022.116614 | No relevant target | 2 |
| 20828199 | 10.1021/jm1007903 | J774 | 1 |
| 20828199 | 10.1021/jm1007903 | Liver microsomes | 1 |
| 25148516 | 10.1021/jm500942v | Unchecked | 1 |
| 25148516 | 10.1021/jm500942v | J774 | 1 |
| 25148516 | 10.1021/jm500942v | NON-PROTEIN TARGET | 1 |
| 25148516 | 10.1021/jm500942v | Liver microsome | 1 |
| 35033884 | 10.1016/j.bmc.2022.116614 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine