Compound Detail
CHEMBL4744476
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Basic Information
| ChEMBL ID | CHEMBL4744476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHFJFZGHKDUWTP-QQRDMOCMSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
345.1
MW (Da)
-0.77
ALogP
8
HBA
4
HBD
126.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.85
EC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 24.0 | nM | 7.62 | Antiviral activity against murine Norovirus infected in mouse RAW264.7 cells ass... | 32294613 |
| Trypanosoma brucei rhodesiense | IC50 | = | 140.0 | nM | 6.85 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 33385837 |
| Trypanosoma cruzi | IC50 | = | 780.0 | nM | 6.11 | Antitrypanosomal activity against Trypanosoma cruzi infected in human MRC-5 SV2 ... | 33385837 |
| Leishmania infantum | IC50 | = | 1130.0 | nM | 5.95 | Antileishmanial activity against Leishmania infantum infected in mouse primary m... | 33385837 |
| Trypanosoma brucei brucei | IC50 | = | 1690.0 | nM | 5.77 | Antitrypanosomal activity against Trypanosoma brucei brucei | 33385837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32294613 | 10.1016/j.ejmech.2020.112198 | Unchecked | 3 |
| 32294613 | 10.1016/j.ejmech.2020.112198 | RAW264.7 | 1 |
| 32294613 | 10.1016/j.ejmech.2020.112198 | Norovirus | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Trypanosoma brucei brucei | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Trypanosoma brucei rhodesiense | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Trypanosoma cruzi | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Leishmania infantum | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Unchecked | 1 |
| 33385837 | 10.1016/j.ejmech.2020.113101 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine