Compound Detail
CHEMBL5563463
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Basic Information
| ChEMBL ID | CHEMBL5563463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPTWICORMWPIPB-PDGQHHTCSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
3.17
ALogP
6
HBA
1
HBD
114.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.84 | 5.5975 | 1450.0 | 4 |
| ADMET CHEMBL612558 | IC50 | 4.79 | 4.79 | 16350.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.3 | 4.3 | 50360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 1450.0 | nM | 5.84 | Antileishmanial activity against Leishmania donovani promastigotes MHOM/SD/62/1S... | 37976706 |
| Leishmania donovani | IC50 | = | 1530.0 | nM | 5.82 | Antileishmanial activity against Leishmania donovani 9515 promastigotes assessed... | 37976706 |
| Leishmania donovani | IC50 | = | 2940.0 | nM | 5.53 | Antileishmanial activity against Leishmania donovani amastigotes MHOM/SD/62/1S a... | 37976706 |
| Leishmania donovani | IC50 | = | 6290.0 | nM | 5.2 | Antileishmanial activity against Leishmania donovani 9515 amastigotes assessed a... | 37976706 |
| ADMET | IC50 | = | 16350.0 | nM | 4.79 | Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... | 37976706 |
| THP-1 | IC50 | = | 50360.0 | nM | 4.3 | Cytotoxicity against human THP-1 cells assessed as inhibition of cell growth mea... | 37976706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania donovani | 4 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | ADMET | 1 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine