Compound Detail
CHEMBL4061307
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Basic Information
| ChEMBL ID | CHEMBL4061307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJIRALSPPCBPAE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
3.50
ALogP
4
HBA
1
HBD
70.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.0 | 6.58 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 100.0 | nM | 7.0 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 assessed ... | 34156862 |
| Trypanosoma brucei brucei | EC50 | = | 691.83 | nM | 6.16 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 at 70 hrs... | 28189084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28189084 | 10.1016/j.ejmech.2017.01.040 | Trypanosoma brucei brucei | 2 |
| 34156862 | 10.1021/acs.jmedchem.1c00674 | Trypanosoma brucei brucei | 2 |
| 34156862 | 10.1021/acs.jmedchem.1c00674 | ADMET | 2 |
| 28189084 | 10.1016/j.ejmech.2017.01.040 | HepG2 | 1 |
| 34156862 | 10.1021/acs.jmedchem.1c00674 | MRC5 | 1 |
| 34156862 | 10.1021/acs.jmedchem.1c00674 | No relevant target | 1 |
| 34156862 | 10.1021/acs.jmedchem.1c00674 | Leishmania donovani | 1 |
| 34156862 | 10.1021/acs.jmedchem.1c00674 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine