Compound Detail
CHEMBL4859179
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Basic Information
| ChEMBL ID | CHEMBL4859179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKDBIDWPRDZSFA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
5.00
ALogP
7
HBA
2
HBD
106.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 4 CHEMBL1075167 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Discoidin domain-containing receptor 2 CHEMBL5122 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 4 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of HIPK4 (unknown origin) | - |
| Discoidin domain-containing receptor 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of DDR2 (unknown origin) | - |
Data from ChEMBL 36 via Core Engine