Compound Detail
CHEMBL1418124
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Basic Information
| ChEMBL ID | CHEMBL1418124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYIQNDGIKADVPQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.24
ALogP
5
HBA
2
HBD
64.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.79
EC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.79 | 5.79 | 1630.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.41 | 4.41 | 39200.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.01 | 4.01 | 96800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 1630.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Unchecked | EC50 | = | 39200.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 96800.0 | nM | 4.01 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine