Compound Detail
CHEMBL240429
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Basic Information
| ChEMBL ID | CHEMBL240429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDRDZIHCMNAENW-IBGZPJMESA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
5.75
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.58
Ki 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 5.4 | 5.34 | 4000.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Activated CDC42 kinase 1 CHEMBL2079848 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of JAK3 | 17276681 |
| Activated CDC42 kinase 1 | Ki | = | 70.0 | nM | 7.16 | Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 ... | 22929232 |
| Activated CDC42 kinase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Ack1 | 17276681 |
| Tyrosine-protein kinase Lck | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Lck by HTRF assay | 17276681 |
| T-cell | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of T cell activation in human mixed lymphocyte reaction | 17276681 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of KDR | 17276681 |
| T-cell | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of anti-CD3/CD28-induced IL2 secretion in human T cells | 17276681 |
| Activated CDC42 kinase 1 | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability afte... | 22929232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17276681 | 10.1016/j.bmcl.2007.01.048 | T-cell | 2 |
| 22929232 | 10.1016/j.bmcl.2012.08.020 | Activated CDC42 kinase 1 | 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 |
Data from ChEMBL 36 via Core Engine