Compound Detail
CHEMBL4060112
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Basic Information
| ChEMBL ID | CHEMBL4060112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTTYINPAUAIFMI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
3.19
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.7 | 5.7 | 2020.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 2020.0 | nM | 5.7 | Anti-parasitic activity against bloodstream form of Trypanosoma brucei brucei Li... | 28064141 |
| Trypanosoma brucei brucei | EC50 | = | 2020.0 | nM | 5.7 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstre... | 27411733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Trypanosoma brucei brucei | 3 |
| 28064141 | 10.1016/j.ejmech.2016.12.017 | Trypanosoma brucei brucei | 1 |
| 28064141 | 10.1016/j.ejmech.2016.12.017 | Unchecked | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | 786-0 | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | A549 | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | WI-38 | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | THP-1 | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Unchecked | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine