Compound Detail
CHEMBL2041980
MMV-048 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2041980 |
| Name | MMV-048 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RTJQABCNNLMCJF-UHFFFAOYSA-N |
8
Targets
35
Activities
2
Assay Types
30
PK Parameters
20
Publications
5
Known Names
2
Indications
Molecular Properties
393.4
MW (Da)
3.82
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Malaria Malaria, Falciparum
Activity Summary
IC50 24 meas. best 9.0
EC50 11 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 8.4133 | 1.0 | 6 |
| Plasmodium falciparum CHEMBL364 | IC50 | 8.28 | 7.6362 | 5.2 | 13 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.92 | 7.2044 | 12.0 | 9 |
| Plasmodium cynomolgi CHEMBL613883 | EC50 | 7.21 | 7.2 | 61.0 | 2 |
| Misshapen-like kinase 1 CHEMBL5518 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9193.52 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 29197.41 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2136.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 29004.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 21050.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 183005.03 | ng.hr.mL-1 | Mus musculus |
| CL | 1.4 | mL.min-1.g-1 | Homo sapiens |
| CL | 6.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.79 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 6.17 | mL.min-1.g-1 | Homo sapiens |
| CL | 0.6 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 3.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 6.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.02 | L/hr | Homo sapiens |
| CL | 3.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 19.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 8000.0 | nM | Rattus norvegicus |
| F | 51.0 | % | Rattus norvegicus |
| F | 45.0 | % | Canis lupus familiaris |
| F | 74.0 | % | Macaca mulatta |
| F | 100.0 | % | Mus musculus |
| T1/2 | 8.333 | hr | Homo sapiens |
| T1/2 | 7.3 | hr | Rattus norvegicus |
| T1/2 | 8.5 | hr | Rattus norvegicus |
| T1/2 | 58.0 | hr | Canis lupus familiaris |
| T1/2 | 56.0 | hr | Macaca mulatta |
| T1/2 | 5.6 | hr | Mus musculus |
| T1/2 | 9.2 | hr | Rattus norvegicus |
| T1/2 | 90.0 | hr | Homo sapiens |
| T1/2 | 163.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine