Compound Detail
CHEMBL4780795
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Basic Information
| ChEMBL ID | CHEMBL4780795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJZUKNINYAACNU-WOUKDFQISA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
315.7
MW (Da)
-0.30
ALogP
8
HBA
3
HBD
109.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.44
Ki 2 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 7.44 | 7.44 | 36.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 7.24 | 7.1867 | 57.0 | 3 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.0 | 6.9 | 100.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.45 | 4.45 | 35500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 36.0 | nM | 7.44 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense assessed as red... | 31931339 |
| Trypanosoma brucei | EC50 | = | 57.0 | nM | 7.24 | Antitrypanosomal activity against drug resistant Trypanosoma brucei harboring Tb... | 31931339 |
| Trypanosoma brucei | EC50 | = | 57.0 | nM | 7.24 | Antitrypanosomal activity against drug resistant Trypanosoma brucei B48 assessed... | 31931339 |
| Trypanosoma brucei | EC50 | = | 84.0 | nM | 7.08 | Antitrypanosomal activity against drug resistant Trypanosoma brucei ISMR1 assess... | 31931339 |
| Trypanosoma brucei brucei | EC50 | = | 100.0 | nM | 7.0 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... | 31931339 |
| Trypanosoma brucei brucei | EC50 | = | 160.0 | nM | 6.8 | Antitrypanosomal activity against Trypanosoma brucei brucei assessed as reductio... | 31931339 |
| Unchecked | Ki | = | 35500.0 | nM | 4.45 | Inhibition of Trypanosoma brucei P1 transporter assessed as reduction in [3H]-ad... | 31931339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31931339 | 10.1016/j.ejmech.2019.112018 | Unchecked | 7 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei | 3 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei brucei | 2 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei rhodesiense | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine