Compound Detail
CHEMBL3787314
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Basic Information
| ChEMBL ID | CHEMBL3787314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWYWUAAPBSPLMX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.7
MW (Da)
2.67
ALogP
6
HBA
0
HBD
79.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 120.0 | nM | 6.92 | Antileishmanial activity against amastigote stage of Leishmania donovani infecte... | 26901446 |
| Leishmania infantum | IC50 | = | 200.0 | nM | 6.7 | Antileishmanial activity against amastigote stage of Leishmania infantum infecte... | 26901446 |
| Trypanosoma cruzi | IC50 | = | 2400.0 | nM | 5.62 | Antitrypanosomal activity against Trypanosoma cruzi infected in human MRC5 cells... | 26901446 |
| Trypanosoma brucei | IC50 | = | 57000.0 | nM | 4.24 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei inc... | 26901446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26901446 | 10.1021/acs.jmedchem.5b01699 | Mycobacterium tuberculosis | 2 |
| 26901446 | 10.1021/acs.jmedchem.5b01699 | Leishmania donovani | 1 |
| 26901446 | 10.1021/acs.jmedchem.5b01699 | Leishmania infantum | 1 |
| 26901446 | 10.1021/acs.jmedchem.5b01699 | Trypanosoma cruzi | 1 |
| 26901446 | 10.1021/acs.jmedchem.5b01699 | Trypanosoma brucei | 1 |
| 26901446 | 10.1021/acs.jmedchem.5b01699 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine