Compound Detail
CHEMBL1342821
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Basic Information
| ChEMBL ID | CHEMBL1342821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBJSGMXYKDIPSE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1617169 |
| Active Moiety | CHEMBL1617169 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
5.12
ALogP
5
HBA
3
HBD
65.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.79
EC50 1 meas. best 5.5
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 | 5.5 | 5.5 | 3190.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.47 | 5.47 | 3360.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.63 | 4.63 | 23650.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.11 | 4.11 | 78000.0 | 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 | = | 3190.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 3360.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Unchecked | IC50 | = | 23650.0 | nM | 4.63 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 78000.0 | nM | 4.11 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine