Compound Detail
CHEMBL1352850
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Basic Information
| ChEMBL ID | CHEMBL1352850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTNZJAMWMLPAQY-ZDUSSCGKSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
2.57
ALogP
3
HBA
1
HBD
62.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.62
IC50 3 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.95 | 5.3833 | 1120.0 | 3 |
| BJ CHEMBL614358 | EC50 | 5.62 | 5.2867 | 2400.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.58 | 5.58 | 2651.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.39 | 5.39 | 4076.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1120.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 1730.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| BJ | EC50 | = | 2400.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 2651.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 3159.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Heat shock factor protein 1 | EC50 | = | 4076.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| BJ | EC50 | = | 18100.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| Unchecked | IC50 | = | 36000.0 | nM | 4.44 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Data from ChEMBL 36 via Core Engine