Compound Detail
CHEMBL3799313
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Basic Information
| ChEMBL ID | CHEMBL3799313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWLHGOCMPAGXTI-UUOKFMHZSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
-1.67
ALogP
10
HBA
5
HBD
157.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 42000.0 | nM | 4.38 | Antimalarial activity against erythrocytic stage of Plasmodium falciparum K1 aft... | 27156774 |
| Leishmania donovani | IC50 | = | 73000.0 | nM | 4.14 | Antileishmanial activity against Leishmania donovani MHOM/SD/62/ISCL2D axenic am... | 28284860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28284860 | 10.1016/j.bmc.2017.02.016 | Unchecked | 3 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | Plasmodium falciparum | 1 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | L6 | 1 |
| 27156774 | 10.1016/j.bmcl.2016.04.053 | Unchecked | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Trypanosoma brucei rhodesiense | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Trypanosoma cruzi | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine