Compound Detail
CHEMBL130698
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Basic Information
| ChEMBL ID | CHEMBL130698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNILSNGFSINJSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
198.7
MW (Da)
1.03
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of mitochondrial Monoamine oxidase-B purified from bovine liver | 8254625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831767 | 10.1021/jm9603936 | Serotonin 3 (5-HT3) receptor | 1 |
| 8254625 | 10.1021/jm00076a026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine