Compound Detail
CHEMBL1350077
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Basic Information
| ChEMBL ID | CHEMBL1350077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRONHBPHCJBRMR-JXMROGBWSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
3.18
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
EC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.75 | 6.0667 | 180.0 | 3 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.61 | 5.61 | 2444.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.14 | 5.14 | 7249.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 930.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Heat shock factor protein 1 | EC50 | = | 2444.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 3770.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 7249.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine