Compound Detail
CHEMBL260311
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Basic Information
| ChEMBL ID | CHEMBL260311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUASFNZQWJGIHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
1.93
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.58 | 4.58 | 26400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 26400.0 | nM | 4.58 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16366607 | 10.1021/jm050792d | Adenosine receptor A1 | 1 |
| 16366607 | 10.1021/jm050792d | Adenosine receptor A2a | 1 |
| 16366607 | 10.1021/jm050792d | Adenosine receptor A3 | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A1 | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A2a | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A3 | 1 |
| 21459001 | 10.1016/j.bmc.2011.03.012 | Unchecked | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine