Compound Detail
CHEMBL136244
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Basic Information
| ChEMBL ID | CHEMBL136244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGUIEYMNFRMLPV-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.46
ALogP
7
HBA
1
HBD
72.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2096980 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3074 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Activin receptor type-1 CHEMBL5903 | IC50 | 6.55 | 6.55 | 284.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2111391 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 10.5 | nM | 7.98 | Inhibition of recombinant RIPK2 (unknown origin) using RS repeat peptide as subs... | 33601309 |
| Nucleotide-binding oligomerization domain-containing protein 2 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP ... | 33601309 |
| Platelet-derived growth factor receptor | IC50 | = | 42.0 | nM | 7.38 | Inhibition against of platelet-derived growth factor receptor (PDGFr) | 9784112 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 140.0 | nM | 6.85 | Inhibition of mouse c-Src tyrosine kinase | 9784112 |
| Activin receptor type-1 | IC50 | = | 284.0 | nM | 6.55 | Inhibition of human ALK2 using casein as substrate incubated for 30 mins in pres... | 33601309 |
| Fibroblast growth factor receptor | IC50 | = | 350.0 | nM | 6.46 | Inhibition of mouse fibroblast growth factor receptor tyrosine kinase (FGFr) | 9784112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784112 | 10.1021/jm980398y | Platelet-derived growth factor receptor | 1 |
| 9784112 | 10.1021/jm980398y | Fibroblast growth factor receptor | 1 |
| 9784112 | 10.1021/jm980398y | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 33601309 | 10.1016/j.ejmech.2021.113252 | Activin receptor type-1 | 1 |
| 33601309 | 10.1016/j.ejmech.2021.113252 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 33601309 | 10.1016/j.ejmech.2021.113252 | Nucleotide-binding oligomerization domain-containing protein 2 | 1 |
Data from ChEMBL 36 via Core Engine