Compound Detail
CHEMBL604171
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Basic Information
| ChEMBL ID | CHEMBL604171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBZXLBFBRIQSQU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.95
ALogP
5
HBA
2
HBD
90.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 600.0 | nM | 6.22 | Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt meth... | 19945874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945874 | 10.1016/j.bmcl.2009.11.015 | Amine oxidase [flavin-containing] A | 1 |
| 19945874 | 10.1016/j.bmcl.2009.11.015 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine