Compound Detail
CHEMBL4758947
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Basic Information
| ChEMBL ID | CHEMBL4758947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBYVYDBWZYPRIX-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.18
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 220.0 | nM | 6.66 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 trypoma... | 27548560 |
| Trypanosoma brucei brucei | IC50 | = | 300.0 | nM | 6.52 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 strain bl... | 27548560 |
| Trypanosoma cruzi | IC50 | = | 900.0 | nM | 6.05 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4 strain amastigot... | 27548560 |
| Leishmania donovani | IC50 | = | 12000.0 | nM | 4.92 | Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 amastigotes ... | 27548560 |
| Plasmodium falciparum | IC50 | = | 65000.0 | nM | 4.19 | Antiplasmodial activity against chloroquine and pyrimethamine resistant erythroc... | 27548560 |
| L6 | IC50 | = | 66000.0 | nM | 4.18 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability measur... | 27548560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Trypanosoma cruzi | 2 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Trypanosoma brucei brucei | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Unchecked | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Trypanosoma brucei rhodesiense | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | L6 | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Plasmodium falciparum | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine