Compound Detail
CHEMBL526110
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 | CHEMBL526110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DENIPLMYQYHPPA-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
2.84
ALogP
8
HBA
1
HBD
111.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.52
EC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
| Glucose transporter CHEMBL3431938 | IC50 | 6.89 | 6.89 | 129.0 | 1 |
| Hexose transporter 1 CHEMBL4697 | IC50 | 6.77 | 6.77 | 169.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of CDK4 by radioactive glutathione plate-binding assay | 18835709 |
| Cyclin-dependent kinase 2 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of human CDK2 by HTRF assay | 18835709 |
| Glycogen synthase kinase-3 beta | IC50 | = | 2.0 | nM | 8.7 | Inhibition of GSK3-beta by scintillation proximity assay | 18835709 |
| Trypanosoma brucei brucei | EC50 | = | 6.31 | nM | 8.2 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... | 31846577 |
| Glucose transporter | IC50 | = | 129.0 | nM | 6.89 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| Hexose transporter 1 | IC50 | = | 169.0 | nM | 6.77 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| Solute carrier family 2, facilitated glucose transporter member 1 | IC50 | = | 210.0 | nM | 6.68 | 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 | Hexose transporter 1 | 2 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 2 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 2 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Cyclin-dependent kinase 4 | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Glycogen synthase kinase-3 beta | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Cyclin-dependent kinase 2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine