Compound Detail
CHEMBL3191989
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3191989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYYOBWASUAPCJB-VBKFSLOCSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
335.6
MW (Da)
3.57
ALogP
3
HBA
0
HBD
34.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.72
IC50 3 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.72 | 6.72 | 192.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.63 | 5.655 | 235.0 | 2 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.44 | 6.44 | 361.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.18 | 6.18 | 653.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.82 | 4.82 | 15100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 192.0 | nM | 6.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Unchecked | IC50 | = | 235.0 | nM | 6.63 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Heat shock factor protein 1 | EC50 | = | 361.0 | nM | 6.44 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 653.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Protein RecA | EC50 | = | 15100.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | IC50 | = | 21000.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
Data from ChEMBL 36 via Core Engine