Compound Detail
CHEMBL2158322
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Basic Information
| ChEMBL ID | CHEMBL2158322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIGMECGKVLFSIH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
1.43
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as... | 23683589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23010269 | 10.1016/j.bmcl.2012.08.105 | Unchecked | 1 |
| 23010269 | 10.1016/j.bmcl.2012.08.105 | Type-1 angiotensin II receptor | 1 |
| 23010269 | 10.1016/j.bmcl.2012.08.105 | Apelin receptor | 1 |
| 23683589 | 10.1016/j.bmcl.2013.04.062 | D-amino-acid oxidase | 1 |
Data from ChEMBL 36 via Core Engine