Compound Detail
CHEMBL1333659
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Basic Information
| ChEMBL ID | CHEMBL1333659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLSWHGPRFDEWHW-RQOWECAXSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
291.2
MW (Da)
1.38
ALogP
8
HBA
4
HBD
149.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.17
EC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 6.17 | 6.17 | 669.9 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.95 | 5.95 | 1120.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.36 | 5.36 | 4340.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 4.44 | 4.44 | 36102.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartyl aminopeptidase | IC50 | = | 669.88 | nM | 6.17 | PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay fo... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 1040.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 1120.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 4340.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Unchecked | IC50 | = | 5500.0 | nM | 5.26 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 36102.0 | nM | 4.44 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
Data from ChEMBL 36 via Core Engine