Compound Detail
CHEMBL5583869
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[2H]C([2H])([2H])N1C(=O)c2ccc(-c3cnn(C(F)F)c3)cc2N2C(=O)CCC21C(=O)Nc1cncc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5583869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHGANQPMCDBVIE-FIBGUPNXSA-N |
| Parent Compound | CHEMBL5592834 |
| Active Moiety | CHEMBL5592834 |
2
Targets
13
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
486.9
MW (Da)
3.54
ALogP
6
HBA
1
HBD
100.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 13 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.52 | 7.9742 | 3.0 | 12 |
| Plasmodium knowlesi CHEMBL613011 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 36.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 29.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39134060 | 10.1021/acs.jmedchem.4c01241 | Plasmodium falciparum | 12 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | Unchecked | 6 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | ADMET | 3 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | No relevant target | 2 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | HepG2 | 1 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | Plasmodium knowlesi | 1 |
Data from ChEMBL 36 via Core Engine