Compound Detail
CHEMBL145561
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Basic Information
| ChEMBL ID | CHEMBL145561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTECDNGKTDACNH-CSKARUKUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
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 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 9000.0 | nM | 5.05 | Inhibitory activity against phytohemagglutininin A-induced proliferation of huma... | 9822551 |
| Leishmania donovani | IC50 | = | 9300.0 | nM | 5.03 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
Data from ChEMBL 36 via Core Engine