Compound Detail
CHEMBL587208
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL587208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCEOIIIPEPYSSD-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
4.41
ALogP
5
HBA
4
HBD
77.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.16 | 6.16 | 691.8 | 1 |
| Hexose transporter 1 CHEMBL4697 | IC50 | 5.53 | 5.53 | 2935.0 | 1 |
| Glucose transporter CHEMBL3431938 | IC50 | 5.51 | 5.51 | 3073.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 5.25 | 5.25 | 5645.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 1.0 | nM | 9.0 | Antiprotozoal activity against Trypanosoma brucei | 28886510 |
| Trypanosoma brucei brucei | EC50 | = | 691.83 | nM | 6.16 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 at 70 hrs... | 28189084 |
| Hexose transporter 1 | IC50 | = | 2935.0 | nM | 5.53 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| Glucose transporter | IC50 | = | 3073.0 | nM | 5.51 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| Solute carrier family 2, facilitated glucose transporter member 1 | IC50 | = | 5645.0 | nM | 5.25 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 2 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 2 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 2 |
| 28189084 | 10.1016/j.ejmech.2017.01.040 | Trypanosoma brucei brucei | 2 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 28189084 | 10.1016/j.ejmech.2017.01.040 | HepG2 | 1 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Unchecked | 1 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine