Compound Detail
CHEMBL5184619
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O[C@H](CN1CCN(CCN2CCN(C[C@@H](O)c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)CC2)CC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
Basic Information
| ChEMBL ID | CHEMBL5184619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDDLHJBECLWRJG-VSGBNLITSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
812.7
MW (Da)
6.86
ALogP
8
HBA
2
HBD
79.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.14 | 6.14 | 726.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 726.0 | nM | 6.14 | Antiplasmodial activity against CQ-susceptible Plasmodium falciparum 3D7 assesse... | 34782182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34782182 | 10.1016/j.ejmech.2021.113981 | Plasmodium falciparum | 2 |
| 34782182 | 10.1016/j.ejmech.2021.113981 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine