Compound Detail
CHEMBL4212632
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Basic Information
| ChEMBL ID | CHEMBL4212632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIFHVGYUGVDLRB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
3.24
ALogP
7
HBA
0
HBD
79.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 2200.0 | nM | 5.66 | Antitrypanosomal activity against Trypanosoma cruzi | 29191556 |
| Leishmania infantum | IC50 | = | 7000.0 | nM | 5.16 | Antiparasitic activity against Leishmania infantum | 29191556 |
| Trypanosoma brucei brucei | IC50 | = | 40000.0 | nM | 4.4 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 29191556 |
| MRC5 | IC50 | = | 51000.0 | nM | 4.29 | Cytotoxicity against human MRC5 cells | 29191556 |
| Trypanosoma brucei rhodesiense | IC50 | = | 59000.0 | nM | 4.23 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 29191556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma brucei brucei | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma brucei rhodesiense | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma cruzi | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Leishmania infantum | 1 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine