Compound Detail
CHEMBL349641
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Basic Information
| ChEMBL ID | CHEMBL349641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHQYDDFNYJJOIA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
1.18
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.92 | 5.595 | 1200.0 | 2 |
| Phospholipase A-2-activating protein CHEMBL6114 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.52 | 4.52 | 30200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of GCAP by analogous luminescence assay | 20031422 |
| Phospholipase A-2-activating protein | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of PLAP by analogous luminescence assay | 20031422 |
| Alkaline phosphatase, germ cell type | IC50 | = | 5370.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 30200.0 | nM | 4.52 | Inhibition of IAP by analogous luminescence assay | 20031422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7252982 | 10.1021/jm00138a017 | Mus musculus | 3 |
| 20031422 | 10.1016/j.bmc.2009.12.012 | Unchecked | 3 |
| 20031422 | 10.1016/j.bmc.2009.12.012 | Phospholipase A-2-activating protein | 1 |
| 20031422 | 10.1016/j.bmc.2009.12.012 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 20031422 | 10.1016/j.bmc.2009.12.012 | Intestinal-type alkaline phosphatase | 1 |
| 20031422 | 10.1016/j.bmc.2009.12.012 | Alkaline phosphatase, germ cell type | 1 |
Data from ChEMBL 36 via Core Engine