Compound Detail
CHEMBL600856
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Basic Information
| ChEMBL ID | CHEMBL600856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHBNTJSDDOWUHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
2.16
ALogP
5
HBA
5
HBD
112.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 4.8 | 4.8 | 15660.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | Ki | 4.01 | 4.01 | 96800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 15660.0 | nM | 4.8 | Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt meth... | 19945874 |
| Amine oxidase [flavin-containing] B | Ki | = | 96800.0 | nM | 4.01 | Inhibition of MAO-B 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