Compound Detail
CHEMBL1986591
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Basic Information
| ChEMBL ID | CHEMBL1986591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMTOIKNAQOBOII-AFUMVMLFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.95
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.75
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.59 | 5.59 | 2567.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.75 | 4.705 | 17800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta | IC50 | = | 2567.0 | nM | 5.59 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Unchecked | EC50 | = | 17800.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 21900.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
Data from ChEMBL 36 via Core Engine