Compound Detail
CHEMBL16950
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Basic Information
| ChEMBL ID | CHEMBL16950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQRAIAZIJGMIFB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.03
ALogP
9
HBA
3
HBD
130.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL2425 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration for DHFR in Toxoplasma gondii | 8164259 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164259 | 10.1021/jm00034a015 | Dihydrofolate reductase | 4 |
| 8164259 | 10.1021/jm00034a015 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 8164259 | 10.1021/jm00034a015 | CCRF-CEM | 1 |
| 8164259 | 10.1021/jm00034a015 | ACHN | 1 |
| 8164259 | 10.1021/jm00034a015 | SK-5 | 1 |
Data from ChEMBL 36 via Core Engine