Compound Detail
CHEMBL223300
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 | CHEMBL223300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFBDIJWXYJNKSB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
200.3
MW (Da)
2.31
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3254 | Ki | 7.62 | 7.62 | 24.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 24.0 | nM | 7.62 | Inhibition of bovine brain mitochondria MAOA by fluorometric assay | 17256833 |
| Amine oxidase [flavin-containing] A | Ki | = | 24.0 | nM | 7.62 | Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay | 18951803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17256833 | 10.1021/jm060882y | Amine oxidase [flavin-containing] A | 1 |
| 17256833 | 10.1021/jm060882y | Amine oxidase [flavin-containing] B | 1 |
| 17256833 | 10.1021/jm060882y | Unchecked | 1 |
| 18951803 | 10.1016/j.bmc.2008.09.072 | Unchecked | 1 |
| 18951803 | 10.1016/j.bmc.2008.09.072 | Amine oxidase [flavin-containing] B | 1 |
| 18951803 | 10.1016/j.bmc.2008.09.072 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine