Compound Detail
CHEMBL5092879
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CCn1cc(C(C)NC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1
Basic Information
| ChEMBL ID | CHEMBL5092879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARMSNSLUKFTKOD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.0
MW (Da)
4.85
ALogP
9
HBA
4
HBD
135.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galactokinase CHEMBL1293257 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2988 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galactokinase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of recombinant human GALK1 using ATP as substrate incubated for 1 hr ... | - |
| Unchecked | IC50 | = | 1090.0 | nM | 5.96 | Inhibition of recombinant mouse GALK1 using ATP as substrate incubated for 1 hr ... | - |
Data from ChEMBL 36 via Core Engine