Compound Detail
CHEMBL392990
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Basic Information
| ChEMBL ID | CHEMBL392990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUIQCYFSBGOBKE-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
3
PK Parameters
8
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.48
ALogP
5
HBA
2
HBD
53.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 6.21 | 6.065 | 620.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 137000.0 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of JAK3 | 17276681 |
| Tyrosine-protein kinase Lck | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Lck by HTRF assay | 17276681 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of KDR | 17276681 |
| Activated CDC42 kinase 1 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of Ack1 | 17276681 |
| T-cell | IC50 | = | 620.0 | nM | 6.21 | Inhibition of T cell activation in human mixed lymphocyte reaction | 17276681 |
| T-cell | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of anti-CD3/CD28-induced IL2 secretion in human T cells | 17276681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Unchecked | 3 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Rattus norvegicus | 3 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | T-cell | 2 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Tyrosine-protein kinase Lck | 1 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Vascular endothelial growth factor receptor 2 | 1 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Activated CDC42 kinase 1 | 1 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Tyrosine-protein kinase JAK3 | 1 |
| 17276681 | 10.1016/j.bmcl.2007.01.048 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine