Compound Detail
CHEMBL594240
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Basic Information
| ChEMBL ID | CHEMBL594240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDHBHTHWWOQPBW-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
2.68
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.35
Ki 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 5.84 | 5.84 | 1430.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.04 | 4.04 | 92100.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.03 | 4.03 | 93700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 450.0 | nM | 6.35 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 19781948 |
| Amine oxidase [flavin-containing] A | Ki | = | 1430.0 | nM | 5.84 | Inhibition of recombinant human liver MAO-A expressed in yeast using kynuramine ... | 28188065 |
| Leishmania donovani | IC50 | = | 92100.0 | nM | 4.04 | Antileishmanial activity against Leishmania donovani axenic amastigotes | 19781948 |
| Trypanosoma brucei rhodesiense | IC50 | = | 93700.0 | nM | 4.03 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 19781948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781948 | 10.1016/j.bmc.2009.08.057 | Plasmodium falciparum | 3 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Unchecked | 2 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Leishmania donovani | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Trypanosoma brucei rhodesiense | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Trypanosoma cruzi | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | L6 | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Nucleic Acid | 1 |
| 28188065 | 10.1016/j.bmcl.2017.01.085 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine