Compound Detail
CHEMBL1547446
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Basic Information
| ChEMBL ID | CHEMBL1547446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXHULZQVWUJWIV-PPVYKKJJSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
1.09
ALogP
4
HBA
1
HBD
62.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.02
EC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.02 | 5.02 | 9580.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.63 | 4.63 | 23500.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.61 | 4.61 | 24400.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.47 | 4.47 | 33532.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.42 | 4.42 | 37541.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 9580.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 11800.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 23500.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 24400.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| RNA-binding protein pos-1 | EC50 | = | 33532.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Zinc finger protein mex-5 | EC50 | = | 37541.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine