Compound Detail
CHEMBL1342091
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Basic Information
| ChEMBL ID | CHEMBL1342091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDMZAAOIAXENOR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
3.93
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.45 | 5.45 | 3540.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.42 | 5.42 | 3780.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.22 | 5.22 | 5950.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 3540.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 3780.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 5950.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 11800.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine