Compound Detail
CHEMBL2420784
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 | CHEMBL2420784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFTFESMGIFGXLA-VOTSOKGWSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
3.62
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.21 | 6.21 | 619.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.79 | 4.79 | 16060.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 619.0 | nM | 6.21 | Inhibition of human recombinant MAO-B expressed in insect cell microsomes using ... | 23860591 |
| RAW264.7 | IC50 | = | 16060.0 | nM | 4.79 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
| RAW264.7 | IC50 | = | 16218.1 | nM | 4.79 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of human recombinant MAO-A expressed in insect cell microsomes using ... | 23860591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9706-1 | RAW264.7 | 2 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Unchecked | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Amine oxidase [flavin-containing] B | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine