Compound Detail
CHEMBL2018557
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
O=C(C1C=CC(c2ccc3c(c2)OCO3)C(/C=C/c2ccc3c(c2)OCO3)C1C(=O)N1CCCCC1)N1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL2018557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUHSRZLUGOUPFT-JXMROGBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
5.38
ALogP
6
HBA
0
HBD
77.5
PSA (Ų)
0.45
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of NO production in LPS-stimulated mouse RAW264.7 cells preincubated ... | 33454546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22475561 | 10.1016/j.bmcl.2012.02.090 | Amine oxidase [flavin-containing] A | 1 |
| 22475561 | 10.1016/j.bmcl.2012.02.090 | Amine oxidase [flavin-containing] B | 1 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine