Compound Detail
CHEMBL2397739
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Basic Information
| ChEMBL ID | CHEMBL2397739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSSMKIDTDSEMER-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
1.92
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | IC50 | 5.32 | 5.31 | 4800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as... | 23683589 |
| Polymerase acidic protein | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
| Polymerase acidic protein | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27291165 | 10.1021/acs.jmedchem.6b00628 | Polymerase acidic protein | 4 |
| 23683589 | 10.1016/j.bmcl.2013.04.062 | D-amino-acid oxidase | 1 |
Data from ChEMBL 36 via Core Engine