Compound Detail
CHEMBL323960
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Basic Information
| ChEMBL ID | CHEMBL323960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZLAEKPBPKLCAR-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.85
ALogP
7
HBA
2
HBD
96.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.89 | 6.105 | 130.0 | 2 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Cryptosporidium parvum CHEMBL612855 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 130.0 | nM | 6.89 | Inhibition of dihydrofolate reductase in Toxoplasma gondii. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 370.0 | nM | 6.43 | Inhibition of rat liver dihydrofolate reductase. | 8230096 |
| Dihydrofolate reductase | IC50 | = | 750.0 | nM | 6.12 | Tested for inhibitory activity against dihydrofolate reductase in human | 8230096 |
| Cryptosporidium parvum | IC50 | = | 1000.0 | nM | 6.0 | Antimicrobial activity against Cryptosporidium parvum | 20185316 |
| Dihydrofolate reductase | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of dihydrofolate reductase in pneumocystis carinii. | 8230096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230096 | 10.1021/jm00073a009 | Dihydrofolate reductase | 4 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Cryptosporidium parvum | 1 |
Data from ChEMBL 36 via Core Engine