Compound Detail
CHEMBL1516834
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Basic Information
| ChEMBL ID | CHEMBL1516834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTWYTJPFSFTVCV-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.99
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.74
EC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.21 | 6.21 | 616.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.74 | 5.555 | 1840.0 | 2 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 4.65 | 4.65 | 22400.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.47 | 4.47 | 33841.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 616.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| SUMO-activating enzyme | IC50 | = | 1840.0 | nM | 5.74 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 4300.0 | nM | 5.37 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Bcl-2-related protein A1 | IC50 | = | 22400.0 | nM | 4.65 | PUBCHEM_BIOASSAY: HTS discovery of chemical inhibitors of anti-apoptotic protein... | - |
| Heat shock protein HSP90 | IC50 | = | 33841.4 | nM | 4.47 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Data from ChEMBL 36 via Core Engine