Compound Detail
CHEMBL1534546
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Basic Information
| ChEMBL ID | CHEMBL1534546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEZGVSCOIZTTBC-RAXLEYEMSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.93
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.2
EC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.2 | 5.245 | 630.0 | 2 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.46 | 5.46 | 3470.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.25 | 5.25 | 5686.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 630.0 | nM | 6.2 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 3470.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Heat shock factor protein 1 | EC50 | = | 5686.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 51400.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Data from ChEMBL 36 via Core Engine