Compound Detail
CHEMBL348151
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Basic Information
| ChEMBL ID | CHEMBL348151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQOAVWUDLYOSJF-UHFFFAOYSA-N |
5
Targets
15
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
459.9
MW (Da)
5.30
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.75
Ki 5 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL1939 | Ki | 9.22 | 8.6 | 0.6 | 5 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL1939 | IC50 | 6.75 | 5.72 | 180.0 | 6 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| KB CHEMBL398 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| BC CHEMBL613535 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736247 | 10.1021/jm030165t | Bifunctional dihydrofolate reductase-thymidylate synthase | 15 |
| 14736247 | 10.1021/jm030165t | Vero | 5 |
| 14736247 | 10.1021/jm030165t | KB | 4 |
| 14736247 | 10.1021/jm030165t | BC | 3 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine