Compound Detail
CHEMBL1610875
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Basic Information
| ChEMBL ID | CHEMBL1610875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTLPHMSJMFUGED-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.2
MW (Da)
4.15
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.43
EC50 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.45 | 6.45 | 354.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.43 | 5.3367 | 370.0 | 3 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.61 | 5.61 | 2442.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.56 | 5.56 | 2751.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.8 | 4.8 | 15908.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 354.0 | nM | 6.45 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 370.0 | nM | 6.43 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 2442.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 2751.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Tegument protein VP16 | IC50 | = | 15908.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Unchecked | IC50 | = | 22000.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
Data from ChEMBL 36 via Core Engine