Compound Detail
CHEMBL3787306
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Basic Information
| ChEMBL ID | CHEMBL3787306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOANHVTUFFCYDW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
373.3
MW (Da)
3.06
ALogP
7
HBA
0
HBD
88.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 80.0 | nM | 7.1 | Antileishmanial activity against amastigote stage of Leishmania donovani infecte... | 26901446 |
| Leishmania infantum | IC50 | = | 280.0 | nM | 6.55 | Antileishmanial activity against amastigote stage of Leishmania infantum infecte... | 26901446 |
| Trypanosoma cruzi | IC50 | = | 420.0 | nM | 6.38 | Antitrypanosomal activity against Trypanosoma cruzi infected in human MRC5 cells... | 26901446 |
| Trypanosoma brucei | IC50 | = | 60000.0 | nM | 4.22 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei inc... | 26901446 |
| MRC5 | IC50 | = | 60000.0 | nM | 4.22 | Cytotoxicity against human MRC5 cells assessed as cell viability incubated for 7... | 26901446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26901446 | 10.1021/acs.jmedchem.5b01699 | Mycobacterium tuberculosis | 2 |
| 28462832 | 10.1016/j.bmcl.2017.03.069 | Liver | 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 |
| 28462832 | 10.1016/j.bmcl.2017.03.069 | No relevant target | 1 |
| 28462832 | 10.1016/j.bmcl.2017.03.069 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine