Compound Detail
CHEMBL4870182
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Basic Information
| ChEMBL ID | CHEMBL4870182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHTSWZNXEKOLPM-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
157.2
MW (Da)
1.47
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.43 | 5.43 | 3750.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.29 | 5.29 | 5070.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.29 | 5.29 | 5110.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.91 | 4.91 | 12420.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.57 | 4.57 | 26690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 1390.0 | nM | 5.86 | Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 promas... | 34531949 |
| Trypanosoma cruzi | IC50 | = | 1620.0 | nM | 5.79 | Antitrypanosomal activity against bloodstream Trypanosoma cruzi trypomastigotes ... | 37859713 |
| Leishmania major | IC50 | = | 3750.0 | nM | 5.43 | Antileishmanial activity against Leishmania major IR-173 promastigotes assessed ... | 37859713 |
| Leishmania amazonensis | IC50 | = | 5110.0 | nM | 5.29 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB 0016 prom... | 34531949 |
| Leishmania donovani | IC50 | = | 5070.0 | nM | 5.29 | Antileishmanial activity against Leishmania donovani MHOM/IN/95/9515 promastigot... | 37859713 |
| Vero | IC50 | = | 12420.0 | nM | 4.91 | Cytotoxicity against African green monkey Vero cells assessed as inhibition of c... | 37859713 |
| THP-1 | IC50 | = | 26690.0 | nM | 4.57 | Cytotoxicity against human THP-1 cells assessed as inhibition of cell growth inc... | 37859713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859713 | 10.1039/d3md00220a | ADMET | 4 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Peritoneal macrophage | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania amazonensis | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania infantum | 2 |
| 37859713 | 10.1039/d3md00220a | Leishmania major | 2 |
| 37859713 | 10.1039/d3md00220a | Leishmania donovani | 2 |
| 37859713 | 10.1039/d3md00220a | Trypanosoma cruzi | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Unchecked | 1 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | ADMET | 1 |
| 37859713 | 10.1039/d3md00220a | Vero | 1 |
| 37859713 | 10.1039/d3md00220a | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine