Compound Detail
CHEMBL424170
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Basic Information
| ChEMBL ID | CHEMBL424170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVCRYOZBFZLNFW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.20
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
IC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL202 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 0.4 | nM | 9.4 | Inhibition of human recombinant Dihydrofolate reductase enzyme | 8632413 |
| HCT-8 | IC50 | = | 2.1 | nM | 8.68 | Activity was evaluated against HCT-8 tumor cells | 8632413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 8632413 | 10.1021/jm9505122 | Dihydrofolate reductase | 2 |
| 8632413 | 10.1021/jm9505122 | Candida albicans | 1 |
| 8632413 | 10.1021/jm9505122 | HCT-8 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
Data from ChEMBL 36 via Core Engine