Compound Detail
CHEMBL5178016
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O[C@@H](CNCCCN1CCN(CCCNC[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)CC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
Basic Information
| ChEMBL ID | CHEMBL5178016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQJWNDXDZDQHBO-NSOVKSMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
814.7
MW (Da)
7.20
ALogP
8
HBA
4
HBD
96.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.49 | 6.49 | 321.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 321.0 | nM | 6.49 | Antiplasmodial activity against CQ-resistant Plasmodium falciparum W2 assessed a... | 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