Compound Detail
CHEMBL4850066
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CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)sc3-c3ccc(F)cc3)cc2)ccn1
Basic Information
| ChEMBL ID | CHEMBL4850066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABPIZXOMYHSHJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
4.15
ALogP
8
HBA
2
HBD
127.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 4 CHEMBL1075167 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 4 | IC50 | = | 5.1 | nM | 8.29 | Inhibition of HIPK4 (unknown origin) | - |
Data from ChEMBL 36 via Core Engine