Compound Detail
CHEMBL4202867
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C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)CNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC)CC3)c(F)cc2c1=O)c1ccnc2ccc(OC)cc12
Basic Information
| ChEMBL ID | CHEMBL4202867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CETBNGZUNJWEJT-KMUGCPSOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
722.9
MW (Da)
5.08
ALogP
10
HBA
1
HBD
109.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 12.0 | nM | 7.92 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 28800458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28800458 | 10.1016/j.ejmech.2017.07.061 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine