Compound Detail
CHEMBL3192085
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Basic Information
| ChEMBL ID | CHEMBL3192085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUJQEWDOUPMCMC-MOSHPQCFSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
-0.33
ALogP
8
HBA
3
HBD
148.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.03 | 5.03 | 9280.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.91 | 4.895 | 12400.0 | 2 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.66 | 4.66 | 21800.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 9280.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Hexokinase HKDC1 | IC50 | = | 12400.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Hexokinase HKDC1 | IC50 | = | 13200.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 21200.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 21800.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 23600.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine