Compound Detail
CHEMBL1079637
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Basic Information
| ChEMBL ID | CHEMBL1079637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTVMHNDFHNMBGA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
3.49
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 5400.0 | nM | 5.27 | Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 amastigotes ... | 19914747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19914747 | 10.1016/j.ejmech.2009.10.022 | Leishmania donovani | 2 |
| 19914747 | 10.1016/j.ejmech.2009.10.022 | THP-1 | 1 |
| 19914747 | 10.1016/j.ejmech.2009.10.022 | Unchecked | 1 |
| 19914747 | 10.1016/j.ejmech.2009.10.022 | Plasmodium falciparum | 1 |
| 28174064 | 10.1016/j.bmc.2017.01.035 | A549 | 1 |
| 28174064 | 10.1016/j.bmc.2017.01.035 | Unchecked | 1 |
| 28174064 | 10.1016/j.bmc.2017.01.035 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine