Compound Detail
CHEMBL7535
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Basic Information
| ChEMBL ID | CHEMBL7535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJOIZEJKRJKAPI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
1.91
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL2425 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cryptosporidium parvum CHEMBL612855 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Dihydrofolate reductase CHEMBL1926 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 1300.0 | nM | 5.89 | The ability to inhibit Toxoplasma gondii Dihydrofolate reductase was tested | 10090784 |
| Dihydrofolate reductase | IC50 | = | 1900.0 | nM | 5.72 | The ability to inhibit rat liver Dihydrofolate reductase was tested | 10090784 |
| Cryptosporidium parvum | IC50 | = | 2000.0 | nM | 5.7 | Antimicrobial activity against Cryptosporidium parvum | 20185316 |
| Dihydrofolate reductase | IC50 | = | 2200.0 | nM | 5.66 | The ability to inhibit Pneumocystis carinii Dihydrofolate reductase was tested | 10090784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 10090784 | 10.1021/jm980572i | Dihydrofolate reductase | 2 |
| 10090784 | 10.1021/jm980572i | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 10090784 | 10.1021/jm980572i | Dihydrofolate reductase; P. carinii vs rat | 1 |
| 10090784 | 10.1021/jm980572i | Dihydrofolate reductase; T. gondii vs rat | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Cryptosporidium parvum | 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