Compound Detail
CHEMBL4452356
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Basic Information
| ChEMBL ID | CHEMBL4452356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKEJTUBRRYVHJC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
6.95
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.28 | 5.28 | 5220.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.62 | 4.62 | 24220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 66.0 | nM | 7.18 | Antiprotozoal activity against Trypanosoma cruzi Tulahuen C2C4 amastigotes infec... | 30615444 |
| Plasmodium falciparum | IC50 | = | 280.0 | nM | 6.55 | Antiprotozoal activity against erythrocytic stage of Plasmodium falciparum K1 af... | 30615444 |
| Leishmania donovani | IC50 | = | 5220.0 | nM | 5.28 | Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 axenic amastig... | 30615444 |
| Trypanosoma brucei rhodesiense | IC50 | = | 24220.0 | nM | 4.62 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 trypomasti... | 30615444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30615444 | 10.1021/acs.jmedchem.8b01464 | Unchecked | 3 |
| 30615444 | 10.1021/acs.jmedchem.8b01464 | Trypanosoma cruzi | 2 |
| 30615444 | 10.1021/acs.jmedchem.8b01464 | Plasmodium falciparum | 1 |
| 30615444 | 10.1021/acs.jmedchem.8b01464 | Leishmania donovani | 1 |
| 30615444 | 10.1021/acs.jmedchem.8b01464 | Trypanosoma brucei rhodesiense | 1 |
| 30615444 | 10.1021/acs.jmedchem.8b01464 | L6 | 1 |
Data from ChEMBL 36 via Core Engine