Compound Detail
CHEMBL1416189
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Basic Information
| ChEMBL ID | CHEMBL1416189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMJPRKOKDBOVNU-ZROIWOOFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
1.90
ALogP
7
HBA
0
HBD
87.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 6.38 | 6.38 | 419.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.42 | 5.42 | 3790.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.11 | 5.11 | 7780.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 419.0 | nM | 6.38 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 3790.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 7780.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 11100.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine