Compound Detail
CHEMBL5557014
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Basic Information
| ChEMBL ID | CHEMBL5557014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYICPTFWFOPDCV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
0.05
ALogP
8
HBA
2
HBD
133.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.42 | 5.42 | 3760.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 2500.0 | nM | 5.6 | Antitrypanosomal activity against bloodstream-stage Trypanosoma brucei measured ... | 38924701 |
| Leishmania major | IC50 | = | 3760.0 | nM | 5.42 | Antileishmanial activity against Leishmania major promastigotes MHOM/IL/80/Fried... | 38924701 |
| MRC5 | IC50 | = | 14500.0 | nM | 4.84 | Cytotoxicity against human MRC5 cells incubated for 72 hrs by alamar blue staini... | 38924701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38924701 | 10.1021/acs.jmedchem.4c00135 | ADMET | 2 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | quadruplex DNA | 2 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | MRC5 | 1 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | Trypanosoma brucei | 1 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | Leishmania major | 1 |
Data from ChEMBL 36 via Core Engine