Compound Detail
CHEMBL144152
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Basic Information
| ChEMBL ID | CHEMBL144152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTHTYBSSRYBPAE-BQYQJAHWSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.74
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-15 CHEMBL612263 | IC50 | 7.68 | 7.68 | 20.9 | 1 |
| A549 CHEMBL392 | IC50 | 7.36 | 7.36 | 43.6 | 1 |
| HeLa CHEMBL399 | IC50 | 7.2 | 7.2 | 62.9 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-15 | IC50 | = | 20.9 | nM | 7.68 | Cytotoxicity against Homo sapiens (human) HCT15 cells assessed as cell viability... | - |
| A549 | IC50 | = | 43.6 | nM | 7.36 | Cytotoxicity against Homo sapiens (human) A549 cells assessed as cell viability ... | - |
| HeLa | IC50 | = | 62.9 | nM | 7.2 | Cytotoxicity against Homo sapiens (human) HeLa cells assessed as cell viability ... | - |
| Leishmania donovani | IC50 | = | 3500.0 | nM | 5.46 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
| ADMET | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory activity against phytohemagglutininin A-induced proliferation of huma... | 9822551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0520-9 | A549 | 5 |
| - | 10.1007/s00044-013-0520-9 | HeLa | 5 |
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
| - | 10.1007/s00044-013-0520-9 | HCT-15 | 1 |
Data from ChEMBL 36 via Core Engine