Compound Detail
CHEMBL144467
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Basic Information
| ChEMBL ID | CHEMBL144467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPLSXUHFLZEMSS-RMKNXTFCSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.31
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 16000.0 | nM | 4.8 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
| ADMET | IC50 | = | 28000.0 | nM | 4.55 | Inhibitory activity against phytohemagglutininin A-induced proliferation of huma... | 9822551 |
| Plasmodium falciparum | IC50 | = | 61000.0 | nM | 4.21 | Antimalarial activity against ring stage chloroquine-sensitive Plasmodium falcip... | 22098429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
| 22098429 | 10.1021/jm201216y | Plasmodium falciparum | 1 |
| 23395966 | 10.1016/j.ejmech.2013.01.018 | NON-PROTEIN TARGET | 1 |
| 23395966 | 10.1016/j.ejmech.2013.01.018 | No relevant target | 1 |
| 23395966 | 10.1016/j.ejmech.2013.01.018 | Radical scavenging activity | 1 |
| 23395966 | 10.1016/j.ejmech.2013.01.018 | MCF7 | 1 |
| 23395966 | 10.1016/j.ejmech.2013.01.018 | SW982 | 1 |
Data from ChEMBL 36 via Core Engine