Compound Detail
CHEMBL1722831
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Basic Information
| ChEMBL ID | CHEMBL1722831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWPLPUGPPROJDJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
206.2
MW (Da)
-0.13
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 5.38 | 5.13 | 4140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 4140.0 | nM | 5.38 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 9640.0 | nM | 5.02 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the absence of phos... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 10216.0 | nM | 4.99 | PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absenc... | - |
Data from ChEMBL 36 via Core Engine