Compound Detail
CHEMBL1421399
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Basic Information
| ChEMBL ID | CHEMBL1421399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJJZIDAYYKUCTC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.71
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.64 | 4.64 | 22700.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.52 | 4.52 | 30500.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.49 | 4.49 | 32200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 22700.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 30500.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 32200.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine