Compound Detail
CHEMBL483450
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL483450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOHOUMPHJONRCD-BQYQJAHWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
2.02
ALogP
4
HBA
0
HBD
56.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.21
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.21 | 5.705 | 61.8 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 7.08 | 7.08 | 83.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 61.8 | nM | 7.21 | Inhibition of baboon liver mitochondrial monoamine oxidase B using 50 uM of MMTP... | 18723354 |
| Amine oxidase [flavin-containing] B | Ki | = | 83.0 | nM | 7.08 | Inhibition of monoamine oxidase B | 18723354 |
| Unchecked | IC50 | = | 107.0 | nM | 6.97 | Inhibition of baboon liver mitochondrial monoamine oxidase B using 50 uM of MMTP... | 18723354 |
| Unchecked | Ki | = | 62700.0 | nM | 4.2 | Inhibition of baboon liver mitochondrial monoamine oxidase B using 30 to 120 uM ... | 18723354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18723354 | 10.1016/j.bmc.2008.07.088 | Unchecked | 3 |
| 18723354 | 10.1016/j.bmc.2008.07.088 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine