Compound Detail
CHEMBL4852822
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Basic Information
| ChEMBL ID | CHEMBL4852822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLSHWIBNWRYPMS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.15
ALogP
7
HBA
0
HBD
53.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.26 | 5.26 | 5430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 310.0 | nM | 6.51 | Inhibition of FLT3 (unknown origin) using 5' FAM-EPLYWSFPA peptide as a substrat... | 34479037 |
| Aurora kinase A | IC50 | = | 970.0 | nM | 6.01 | Inhibition of Aurora A (unknown origin) using 5' FAM-LRRASLG-CONH2 peptide as a ... | 34479037 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2840.0 | nM | 5.55 | Inhibition of CSF-1R (unknown origin) using 5' FAM-KKKKEEIYFFF-CONH2 peptide as ... | 34479037 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 5430.0 | nM | 5.26 | Inhibition of RET (unknown origin) using 5' FAM-EPLYWSFPA peptide as a substrate... | 34479037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34479037 | 10.1016/j.ejmech.2021.113776 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Serine/threonine-protein kinase Nek2 | 1 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Epidermal growth factor receptor | 1 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Aurora kinase A | 1 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine