Compound Detail
CHEMBL2004928
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Basic Information
| ChEMBL ID | CHEMBL2004928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJLCXHLJYYHQBC-BRJLIKDPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
4.09
ALogP
8
HBA
2
HBD
132.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.79 | 5.2533 | 1630.0 | 3 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.05 | 5.05 | 8880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1630.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 2450.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| SUMO-activating enzyme | IC50 | = | 8880.0 | nM | 5.05 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Unchecked | IC50 | = | 43926.0 | nM | 4.36 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
Data from ChEMBL 36 via Core Engine