Compound Detail
CHEMBL530038
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Basic Information
| ChEMBL ID | CHEMBL530038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNEQAAAVYIGQLU-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
2.82
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.42
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.42 | 6.19 | 382.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.14 | 5.14 | 7258.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.11 | 5.11 | 7731.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 382.0 | nM | 6.42 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Unchecked | IC50 | = | 970.0 | nM | 6.01 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Plasmodium falciparum | EC50 | = | 1095.0 | nM | 5.96 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Streptococcus sp. 'group A' | EC50 | = | 7258.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 7731.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine