Compound Detail
CHEMBL529140
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Basic Information
| ChEMBL ID | CHEMBL529140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTQJXMZTERLFHI-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.95
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Hexose transporter 1 CHEMBL4697 | IC50 | 6.13 | 6.13 | 744.0 | 1 |
| Glucose transporter CHEMBL3431938 | IC50 | 6.07 | 6.07 | 844.0 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 5.98 | 5.98 | 1052.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 460.0 | nM | 6.34 | Cytotoxicity against human MCF7 cells measured after 72 hrs by MTT assay | 37698518 |
| HepG2 | IC50 | = | 520.0 | nM | 6.28 | Cytotoxicity against human HepG2 cells measured after 72 hrs by MTT assay | 37698518 |
| Hexose transporter 1 | IC50 | = | 744.0 | nM | 6.13 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| Glucose transporter | IC50 | = | 844.0 | nM | 6.07 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
| HGC-27 | IC50 | = | 1010.0 | nM | 6.0 | Cytotoxicity against human HGC-27 cells measured after 72 hrs by MTT assay | 37698518 |
| Solute carrier family 2, facilitated glucose transporter member 1 | IC50 | = | 1052.0 | nM | 5.98 | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes... | - |
Literature References
Data from ChEMBL 36 via Core Engine