Compound Detail
CHEMBL3730504
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Basic Information
| ChEMBL ID | CHEMBL3730504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FITCFFSJDIRDTL-BOPFTXTBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
365.9
MW (Da)
4.78
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of GST/His6-tagged human YAK3 (124 to 526 residues) expressed in bacu... | - |
Data from ChEMBL 36 via Core Engine