Compound Detail
CHEMBL1503852
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Basic Information
| ChEMBL ID | CHEMBL1503852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSKUWLRFJPOFNP-QPEQYQDCSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
2.52
ALogP
7
HBA
3
HBD
120.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.23 | 5.23 | 5860.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.73 | 4.73 | 18463.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 5860.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 13200.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 15100.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 17200.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 18463.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine