Compound Detail
CHEMBL536166
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Basic Information
| ChEMBL ID | CHEMBL536166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOJPLVZRYCGZCN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL525680 |
| Active Moiety | CHEMBL525680 |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.5
MW (Da)
4.31
ALogP
2
HBA
1
HBD
28.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
EC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.22 | 6.885 | 6.0 | 2 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 6.22 | 6.22 | 604.0 | 1 |
| Glucose transporter CHEMBL3431938 | IC50 | 6.22 | 6.22 | 596.0 | 1 |
| Hexose transporter 1 CHEMBL4697 | IC50 | 6.22 | 6.22 | 607.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.78 | 4.78 | 16727.7 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 4.56 | 4.56 | 27705.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6.0 | nM | 8.22 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Hexose transporter 1 | IC50 | = | 607.0 | nM | 6.22 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| Glucose transporter | IC50 | = | 596.0 | nM | 6.22 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| Solute carrier family 2, facilitated glucose transporter member 1 | IC50 | = | 604.0 | nM | 6.22 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| Unchecked | EC50 | = | 2787.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Calpain-2 catalytic subunit | IC50 | = | 16727.72 | nM | 4.78 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| No relevant target | EC50 | = | 27705.0 | nM | 4.56 | PubChem BioAssay. Counterscreen for antagonists of the galanin Receptor 3 (GalR3... | - |
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 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine