Compound Detail
CHEMBL5196122
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CC(C)(C)OC(=O)CC[C@@H]1NC(=O)[C@H]2Cc3c([nH]c4ccccc34)C(c3ccc4c(c3)OCO4)N2C1=O
Basic Information
| ChEMBL ID | CHEMBL5196122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOKMKEISLWSWOO-KYWQPSMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.36
ALogP
6
HBA
2
HBD
110.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 60000.0 | nM | 4.22 | Antiplasmodial activity against GHA chloroquine sensitive Plasmodium falciparum | 34058709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34058709 | 10.1016/j.ejmech.2021.113536 | Plasmodium falciparum | 1 |
| 34058709 | 10.1016/j.ejmech.2021.113536 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine