Compound Detail
CHEMBL1313502
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Basic Information
| ChEMBL ID | CHEMBL1313502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTUASJMDPFCADW-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
3.45
ALogP
4
HBA
2
HBD
79.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.67
EC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.67 | 5.67 | 2165.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.48 | 5.48 | 3340.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.58 | 4.58 | 26300.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.49 | 4.49 | 32100.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.15 | 4.15 | 70100.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.14 | 4.14 | 71695.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2165.0 | nM | 5.67 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 3340.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 26300.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 32100.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 70100.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 71695.0 | nM | 4.14 | PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absenc... | - |
Data from ChEMBL 36 via Core Engine