Compound Detail
CHEMBL4876294
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Basic Information
| ChEMBL ID | CHEMBL4876294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWUJHBAYXHVHSG-LCYFTJDESA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
246.2
MW (Da)
2.32
ALogP
4
HBA
0
HBD
82.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 6.68 | 6.185 | 210.0 | 2 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.66 | 6.005 | 220.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 6.0 | 5.93 | 990.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 210.0 | nM | 6.68 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB 0016 prom... | 34531949 |
| Leishmania infantum | IC50 | = | 220.0 | nM | 6.66 | Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 promas... | 34531949 |
| Leishmania donovani | IC50 | = | 990.0 | nM | 6.0 | Antileishmanial activity against wild type Leishmania donovani promastigotes inc... | 34531949 |
| Leishmania donovani | IC50 | = | 1220.0 | nM | 5.91 | Antileishmanial activity against Leishmania donovani LdBOB derived from MHOM/SD/... | 34531949 |
| Leishmania donovani | IC50 | = | 1330.0 | nM | 5.88 | Antileishmanial activity against Leishmania donovani LdBOB derived from MHOM/SD/... | 34531949 |
| Leishmania amazonensis | IC50 | = | 2040.0 | nM | 5.69 | Antileishmanial activity against intracellular Leishmania amazonensis MHOM/BR/77... | 34531949 |
| Leishmania infantum | IC50 | = | 4490.0 | nM | 5.35 | Antileishmanial activity against intracellular Leishmania infantum MHOM/MA/67/IT... | 34531949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania donovani | 3 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania amazonensis | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania infantum | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Unchecked | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | ADMET | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Peritoneal macrophage | 1 |
Data from ChEMBL 36 via Core Engine