Compound Detail
CHEMBL23250
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Basic Information
| ChEMBL ID | CHEMBL23250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOJLJEDKMZDNKK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
2.37
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL3963 | IC50 | 7.92 | 7.92 | 12.1 | 1 |
| Dihydrofolate reductase CHEMBL1809 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Dihydrofolate reductase CHEMBL3565 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 12.1 | nM | 7.92 | Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei | 3100802 |
| Dihydrofolate reductase | IC50 | = | 14.0 | nM | 7.85 | Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli | 3100802 |
| Dihydrofolate reductase | IC50 | = | 155.0 | nM | 6.81 | Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrho... | 3100802 |
| Dihydrofolate reductase | IC50 | = | 58000.0 | nM | 4.24 | Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver | 3100802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 3100802 | 10.1021/jm00385a017 | Dihydrofolate reductase | 3 |
| 3121854 | 10.1021/jm00396a018 | Staphylococcus aureus | 1 |
| 3121854 | 10.1021/jm00396a018 | Salmonella | 1 |
| 3121854 | 10.1021/jm00396a018 | Shigella flexneri | 1 |
| 3121854 | 10.1021/jm00396a018 | Escherichia coli | 1 |
| 3121854 | 10.1021/jm00396a018 | Klebsiella pneumoniae | 1 |
| 3121854 | 10.1021/jm00396a018 | Klebsiella aerogenes | 1 |
| 3121854 | 10.1021/jm00396a018 | Proteus vulgaris | 1 |
| 3100802 | 10.1021/jm00385a017 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 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