Compound Detail
CHEMBL596813
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Basic Information
| ChEMBL ID | CHEMBL596813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXUDLAZFJYWMFQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
2.12
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.29 | 4.29 | 51200.0 | 1 |
| Phospholipase A-2-activating protein CHEMBL6114 | IC50 | 4.29 | 4.29 | 51200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 27000.0 | nM | 4.57 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Phospholipase A-2-activating protein | IC50 | = | 51200.0 | nM | 4.29 | Inhibition of PLAP by analogous luminescence assay | 20031422 |
| Alkaline phosphatase, germ cell type | IC50 | = | 51200.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20031422 | 10.1016/j.bmc.2009.12.012 | Phospholipase A-2-activating protein | 1 |
Data from ChEMBL 36 via Core Engine