Compound Detail
CHEMBL3786301
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Basic Information
| ChEMBL ID | CHEMBL3786301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNVJAQIDMZWIBX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.96
ALogP
6
HBA
0
HBD
73.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 230.0 | nM | 6.64 | Antileishmanial activity against amastigote stage of Leishmania infantum infecte... | 26901446 |
| Leishmania donovani | IC50 | = | 630.0 | nM | 6.2 | Antileishmanial activity against amastigote stage of Leishmania donovani infecte... | 26901446 |
| Trypanosoma cruzi | IC50 | = | 1100.0 | nM | 5.96 | Antitrypanosomal activity against Trypanosoma cruzi infected in human MRC5 cells... | 26901446 |
| Trypanosoma brucei | IC50 | = | 12000.0 | nM | 4.92 | 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 | No relevant target | 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