Compound Detail
CHEMBL3197990
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Basic Information
| ChEMBL ID | CHEMBL3197990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTTOREADUZVGKO-VXLYETTFSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.65
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.99
EC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.97 | 6.97 | 108.0 | 1 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.5 | 5.5 | 3146.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 108.0 | nM | 6.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Krueppel-like factor 5 | IC50 | = | 1030.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 3146.0 | nM | 5.5 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
Data from ChEMBL 36 via Core Engine