Compound Detail
CHEMBL7077
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Basic Information
| ChEMBL ID | CHEMBL7077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOYZWGONXBBNMQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.10
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.09
EC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.12 | 6.12 | 753.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 6.09 | 6.09 | 812.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 753.0 | nM | 6.12 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Dihydrofolate reductase | IC50 | = | 812.83 | nM | 6.09 | Inhibitory activity against dihydrofolate reductase of rat liver | 7277385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2404122 | 10.1021/jm00163a067 | No relevant target | 2 |
| 2404122 | 10.1021/jm00163a067 | Dihydrofolate reductase | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 2404122 | 10.1021/jm00163a067 | Staphylococcus aureus | 1 |
| 2404122 | 10.1021/jm00163a067 | Escherichia coli | 1 |
| 2404122 | 10.1021/jm00163a067 | Mus musculus | 1 |
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 7277385 | 10.1021/jm00139a009 | Dihydrofolate reductase | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| 1271401 | 10.1021/jm00227a006 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine