Compound Detail
CHEMBL4877211
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Basic Information
| ChEMBL ID | CHEMBL4877211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDEPDAHMJTUUMK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
3.31
ALogP
3
HBA
0
HBD
67.2
PSA (Ų)
0.22
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.72 | 4.57 | 19150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 34116159 |
| Leishmania donovani | IC50 | = | 19150.0 | nM | 4.72 | Antileishmanial activity against axenic amastigote form of Leishmania donovani L... | 34116159 |
| Leishmania donovani | IC50 | = | 37610.0 | nM | 4.42 | Antileishmanial activity against intramacrophage form of Leishmania donovani LV9... | 34116159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34116159 | 10.1016/j.bmcl.2021.128196 | Leishmania donovani | 2 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | ADMET | 2 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | Candida albicans | 1 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | Aspergillus fumigatus | 1 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | Plasmodium falciparum | 1 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine