Compound Detail
CHEMBL2392115
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 | CHEMBL2392115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEUJVEZIEALICS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL291627 |
| Active Moiety | CHEMBL291627 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
83.1
MW (Da)
-0.01
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substr... | 23664164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23664164 | 10.1016/j.bmc.2013.04.011 | Amine oxidase [copper-containing] 3 | 2 |
| 25466178 | 10.1016/j.bmcl.2014.11.004 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine