Compound Detail
CHEMBL1354522
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Basic Information
| ChEMBL ID | CHEMBL1354522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHOHWELPUXLPOF-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
292.7
MW (Da)
3.47
ALogP
4
HBA
2
HBD
66.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.28 | 6.28 | 531.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 5.96 | 5.96 | 1091.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 4.84 | 4.84 | 14445.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lyn | IC50 | = | 500.0 | nM | 6.3 | Inhibition of recombinant human LYN using TK-substrate-biotin after 40 mins by H... | 28945083 |
| Tyrosine-protein kinase Lck | IC50 | = | 531.0 | nM | 6.28 | Inhibition of His-tagged full length recombinant human LCK expressed in baculovi... | 28945083 |
| Tyrosine-protein kinase Fyn | IC50 | = | 600.0 | nM | 6.22 | Inhibition of C-terminal His-tagged full length recombinant human FYN expressed ... | 28945083 |
| Tyrosine-protein kinase BTK | IC50 | = | 1091.0 | nM | 5.96 | Inhibition of human N-terminal His-tagged BTK expressed in bacmid transfected Sf... | 28945083 |
| Mitogen-activated protein kinase 14 | IC50 | = | 14445.0 | nM | 4.84 | Inhibition of human N-terminal His-tagged p38alpha expressed in Escherichia coli... | 28945083 |
| Cytoplasmic tyrosine-protein kinase BMX | IC50 | = | 18300.0 | nM | 4.74 | Inhibition of His-tagged full length recombinant human BMX expressed in baculovi... | 28945083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Tyrosine-protein kinase BTK | 3 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Tyrosine-protein kinase Lck | 3 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Mitogen-activated protein kinase 14 | 2 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Tyrosine-protein kinase ITK/TSK | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Tyrosine-protein kinase SYK | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Rho-associated protein kinase 1 | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Tyrosine-protein kinase JAK3 | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Insulin-like growth factor 1 receptor | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Serine/threonine-protein kinase Rac alpha/beta | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Hepatocyte growth factor receptor | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Glycogen synthase kinase-3 beta | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Fibroblast growth factor receptor 1 | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Cytoplasmic tyrosine-protein kinase BMX | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Tyrosine-protein kinase Lyn | 1 |
| 28945083 | 10.1021/acs.jmedchem.7b01075 | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine