Compound Detail
CHEMBL4063225
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Basic Information
| ChEMBL ID | CHEMBL4063225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTQDOKHRGJTNQO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
4.45
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.91 | 4.91 | 12380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 620.0 | nM | 6.21 | Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 axenic amastig... | 28789893 |
| L6 | IC50 | = | 12380.0 | nM | 4.91 | Cytotoxicity against rat L6 cells assessed as cell viability after 72 hrs by Ala... | 28789893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Leishmania donovani | 3 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Trypanosoma cruzi | 2 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Plasmodium falciparum | 2 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Trypanosoma brucei rhodesiense | 2 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | L6 | 1 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine