Compound Detail
CHEMBL161985
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 | CHEMBL161985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCAMEVFYMFXHEN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
179.3
MW (Da)
1.98
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Ki 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial ... | 15801832 |
| Amine oxidase [flavin-containing] A | Ki | = | 220.0 | nM | 6.66 | Inhibition of MAOA in rat brain mitochondria | 19243954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1542100 | 10.1021/jm00082a014 | 5-hydroxytryptamine receptor 2C | 1 |
| 1542100 | 10.1021/jm00082a014 | Serotonin 2 (5-HT2) receptor | 1 |
| 15801832 | 10.1021/jm0493109 | Amine oxidase [flavin-containing] A | 1 |
| 19243954 | 10.1016/j.bmc.2009.01.074 | Amine oxidase [flavin-containing] A | 1 |
| 19243954 | 10.1016/j.bmc.2009.01.074 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine