Compound Detail
CHEMBL4750583
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Basic Information
| ChEMBL ID | CHEMBL4750583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSXAGLGGRLTOOF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.33
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.63 | 4.63 | 23500.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 23500.0 | nM | 4.63 | Antileishmanial activity against Leishmania donovani MHOM/80/IN/Dd8 promastigote... | 26791014 |
| THP-1 | IC50 | = | 77000.0 | nM | 4.11 | Cytotoxicity against differentiated human THP-1 cells measured after 48 hrs by M... | 26791014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26791014 | 10.1016/j.bmcl.2015.12.095 | Leishmania donovani | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | THP-1 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine