Compound Detail
CHEMBL1447139
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Basic Information
| ChEMBL ID | CHEMBL1447139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIMOTQULAZLLBI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
5.21
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.80
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.06 | 5.06 | 8640.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.03 | 5.03 | 9390.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.99 | 4.99 | 10200.0 | 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 | = | 8640.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 9390.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 10200.0 | nM | 4.99 | 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... | - |
Data from ChEMBL 36 via Core Engine