Compound Detail
CHEMBL5207239
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O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C(c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL5207239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOUKHFHMCXSQCZ-BIUYVPHKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
3.96
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 25000.0 | nM | 4.6 | Antiplasmodial activity against GHA chloroquine sensitive Plasmodium falciparum | 34058709 |
| MRC5 | IC50 | = | 35000.0 | nM | 4.46 | Cytotoxicity against human MRC5 cells | 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