Compound Detail
CHEMBL145643
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Basic Information
| ChEMBL ID | CHEMBL145643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXEQBCWMBKUXER-VQHVLOKHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
3.51
ALogP
5
HBA
0
HBD
78.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 8600.0 | nM | 5.07 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
| ADMET | IC50 | = | 18000.0 | nM | 4.75 | Inhibitory activity against phytohemagglutininin A-induced proliferation of huma... | 9822551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9342-1 | NON-PROTEIN TARGET | 3 |
| 17276682 | 10.1016/j.bmcl.2006.12.112 | Mycobacterium tuberculosis | 2 |
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
| - | 10.1007/s00044-010-9342-1 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine