Compound Detail
CHEMBL3799380
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Basic Information
| ChEMBL ID | CHEMBL3799380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHHDPGPTPONLOU-UUOKFMHZSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
269.2
MW (Da)
-0.81
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 880.0 | nM | 6.06 | Antileishmanial activity against Leishmania donovani MHOM/SD/62/ISCL2D axenic am... | 28284860 |
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antimalarial activity against erythrocytic stage of Plasmodium falciparum K1 aft... | 27156774 |
| L6 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against rat L6 cells | 27156774 |
| Trypanosoma cruzi | IC50 | = | 7100.0 | nM | 5.15 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain C2C4 amastig... | 28284860 |
| Trypanosoma brucei rhodesiense | IC50 | = | 65000.0 | nM | 4.19 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei rhodes... | 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