Compound Detail
CHEMBL4088403
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Basic Information
| ChEMBL ID | CHEMBL4088403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPIBIWBYXMUZLO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.74
ALogP
7
HBA
0
HBD
88.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 2300.0 | nM | 5.64 | Antitrypanosomal activity against Trypanosoma cruzi infected in human MRC5 cells... | 29461823 |
| Leishmania infantum | IC50 | = | 16000.0 | nM | 4.8 | Antileishmanial activity against Leishmania infantum amastigotes infected in mou... | 29461823 |
| Trypanosoma brucei | IC50 | = | 23000.0 | nM | 4.64 | Antitrypanosomal activity against Trypanosoma brucei bloodstream forms after 72 ... | 29461823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Mycobacterium tuberculosis | 2 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Leishmania donovani | 1 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Leishmania infantum | 1 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Trypanosoma cruzi | 1 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | Trypanosoma brucei | 1 |
| 29461823 | 10.1021/acs.jmedchem.7b01581 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine