Compound Detail
CHEMBL1333813
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1333813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWQSKLYWVWEYKB-MNDPQUGUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
2.74
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 6.7 | 6.4967 | 199.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 199.0 | nM | 6.7 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 385.0 | nM | 6.42 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 429.0 | nM | 6.37 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
Data from ChEMBL 36 via Core Engine