Compound Detail
CHEMBL1422763
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Basic Information
| ChEMBL ID | CHEMBL1422763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQFHVIXDOTUIRX-ULJHMMPZSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.55
ALogP
4
HBA
1
HBD
79.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
EC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.59 | 5.59 | 2590.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.96 | 11080.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.36 | 4.36 | 43500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 2590.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | IC50 | = | 11080.0 | nM | 4.96 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Envelope glycoprotein gp160 | IC50 | = | 43500.0 | nM | 4.36 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine