Compound Detail
CHEMBL1423501
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Basic Information
| ChEMBL ID | CHEMBL1423501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCNGHJWXHCWDNG-QPJJXVBHSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
3.74
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.45
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.45 | 6.45 | 356.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.22 | 6.22 | 605.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.78 | 5.78 | 1673.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.6 | 5.6 | 2506.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 356.0 | nM | 6.45 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | IC50 | = | 605.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Heat shock factor protein 1 | EC50 | = | 1673.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2506.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
Data from ChEMBL 36 via Core Engine