Compound Detail
CHEMBL22693
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Basic Information
| ChEMBL ID | CHEMBL22693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOPXWVPFQVTEFR-UHFFFAOYSA-N |
2
Targets
16
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.48
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.7
Ki 7 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL1939 | Ki | 9.3 | 8.8971 | 0.5 | 7 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL1939 | IC50 | 6.68 | 5.706 | 210.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736247 | 10.1021/jm030165t | Bifunctional dihydrofolate reductase-thymidylate synthase | 11 |
| 11881993 | 10.1021/jm010131q | Bifunctional dihydrofolate reductase-thymidylate synthase | 9 |
| 11881993 | 10.1021/jm010131q | NON-PROTEIN TARGET | 5 |
| 14736247 | 10.1021/jm030165t | Vero | 5 |
| 14736247 | 10.1021/jm030165t | KB | 4 |
| 11881993 | 10.1021/jm010131q | Plasmodium falciparum | 3 |
| 14736247 | 10.1021/jm030165t | BC | 3 |
| 11881993 | 10.1021/jm010131q | Dihydrofolate reductase | 1 |
| 11881993 | 10.1021/jm010131q | Vero | 1 |
| 11881993 | 10.1021/jm010131q | KB | 1 |
| 11881993 | 10.1021/jm010131q | BC | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine