Compound Detail
CHEMBL99408
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Basic Information
| ChEMBL ID | CHEMBL99408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJSRSRITMWVIQT-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
144.2
MW (Da)
1.82
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
EC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3707464 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Genome polyprotein CHEMBL6040 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.22 | 5.22 | 5950.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.42 | 4.42 | 38108.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 30.0 | nM | 7.52 | Inhibition Assay: HCV polymerase inhibition assay: HCV polymerase reactions were... | - |
| Genome polyprotein | IC50 | = | 100.0 | nM | 7.0 | Inhibition Assay: HCV polymerase inhibition assay: HCV polymerase reactions were... | - |
| Protein RecA | EC50 | = | 5950.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Heat shock protein HSP90 | IC50 | = | 38108.9 | nM | 4.42 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31922756 | 10.1021/acs.jmedchem.9b01492 | Neutrophil cytosol factor 1 | 2 |
| 10649984 | 10.1021/jm990437l | Ferriprotoporphyrin IX | 1 |
| 10649984 | 10.1021/jm990437l | Histidine-rich protein PFHRP-II | 1 |
| 10649984 | 10.1021/jm990437l | Plasmodium falciparum | 1 |
| 20000418 | 10.1021/jm901590f | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine