Compound Detail
CHEMBL583584
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Basic Information
| ChEMBL ID | CHEMBL583584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTOZHDVIBQNOEF-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
1.42
ALogP
5
HBA
3
HBD
74.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.24
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.24 | 6.875 | 57.6 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.96 | 6.96 | 109.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.32 | 6.32 | 478.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.83 | 5.83 | 1483.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 57.6 | nM | 7.24 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Streptokinase A | EC50 | = | 109.0 | nM | 6.96 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Plasmodium falciparum | EC50 | = | 311.9 | nM | 6.51 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Streptococcus | EC50 | = | 478.0 | nM | 6.32 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| BJ | EC50 | = | 1260.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 1483.0 | nM | 5.83 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 19716698 | 10.1016/j.bmcl.2009.08.052 | Unchecked | 1 |
| 19716698 | 10.1016/j.bmcl.2009.08.052 | 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 |
Data from ChEMBL 36 via Core Engine