Compound Detail
CHEMBL1378661
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Basic Information
| ChEMBL ID | CHEMBL1378661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKNMJBZSLDLYAV-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.08
ALogP
6
HBA
3
HBD
108.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.92
IC50 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.56 | 5.56 | 2750.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.26 | 5.26 | 5460.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.92 | 4.92 | 11900.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.88 | 4.88 | 13100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 2750.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 5460.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | EC50 | = | 11900.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 13100.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine