Compound Detail
CHEMBL3102946
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Basic Information
| ChEMBL ID | CHEMBL3102946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYIPFFFNGKQOMG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
4.93
ALogP
5
HBA
1
HBD
65.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.54 | 6.4 | 29.2 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.54 | 5.54 | 2880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 29.2 | nM | 7.54 | Inhibition of c-KIT D816V mutant (unknown origin) | 25004409 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2880.0 | nM | 5.54 | Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) ex... | 24188002 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 5460.0 | nM | 5.26 | Inhibition of wild type c-KIT (unknown origin) | 25004409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25004409 | 10.1021/jm500413g | Mast/stem cell growth factor receptor Kit | 2 |
| 24188002 | 10.1021/jm401049v | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine