Compound Detail
CHEMBL1835742
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Basic Information
| ChEMBL ID | CHEMBL1835742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIUVCQMGYRAZME-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
2.64
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | Ki | = | 18.0 | nM | 7.75 | Displacement of [33P]ATP from human recombinant FLT3 domain after 20 mins by sci... | 21970471 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 1200.0 | nM | 5.92 | Inhibition of IRAK4 by spectrophotometry | 21970471 |
| Aurora kinase A | Ki | = | 2000.0 | nM | 5.7 | Inhibition of Aurora A by spectrophotometry | 21970471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21970471 | 10.1021/jm200712h | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 21970471 | 10.1021/jm200712h | Mast/stem cell growth factor receptor Kit | 1 |
| 21970471 | 10.1021/jm200712h | Aurora kinase A | 1 |
| 21970471 | 10.1021/jm200712h | Tyrosine-protein kinase JAK2 | 1 |
| 21970471 | 10.1021/jm200712h | Interleukin-1 receptor-associated kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine