Compound Detail
CHEMBL441121
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Basic Information
| ChEMBL ID | CHEMBL441121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKNDFLNQVKOIBK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
2.67
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 3700.0 | nM | 5.43 | Concentration required to inhibit monoamine oxidase activity by 50% | 15482934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29626799 | 10.1016/j.ejmech.2018.03.036 | 3T3-L1 | 2 |
| 15482934 | 10.1016/j.bmcl.2004.08.066 | Amine oxidase [flavin-containing] A | 1 |
| 17614292 | 10.1016/j.bmc.2007.06.037 | MCF7 | 1 |
| 17614292 | 10.1016/j.bmc.2007.06.037 | NCI-H460 | 1 |
| 17614292 | 10.1016/j.bmc.2007.06.037 | SF-268 | 1 |
| 17614292 | 10.1016/j.bmc.2007.06.037 | UACC-62 | 1 |
| 29626799 | 10.1016/j.ejmech.2018.03.036 | Danio rerio | 1 |
Data from ChEMBL 36 via Core Engine