Compound Detail
CHEMBL6051144
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O=C(Oc1cc(CSc2ccc(Cl)c(Cl)c2)c[nH]c1=O)c1cc(CCc2ccccc2)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL6051144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICLVBKCIUNOCPT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.4
MW (Da)
6.31
ALogP
4
HBA
2
HBD
75.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| D-amino-acid oxidase CHEMBL6172 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 5500.0 | nM | 5.26 | In Vitro Measurements of human D-Amino Acid Oxidase (DAAO) Activities: The hDAAO... | - |
| D-amino-acid oxidase | IC50 | = | 5500.0 | nM | 5.26 | In Vitro Measurements of porcine D-Amino Acid Oxidase (DAAO) Activities: The pkD... | - |
Data from ChEMBL 36 via Core Engine