Compound Detail
CHEMBL168457
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Basic Information
| ChEMBL ID | CHEMBL168457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFYUQXNGWZNTQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
3.00
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 300.0 | nM | 6.52 | Compound was evaluated for inhibition constant, in liver microsomes from beta-na... | 7277387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7277387 | 10.1021/jm00139a011 | NON-PROTEIN TARGET | 6 |
| 7277387 | 10.1021/jm00139a011 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine