Compound Detail
CHEMBL2390968
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 | CHEMBL2390968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJJOUTSZDUKCFW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3040348 |
| Active Moiety | CHEMBL3040348 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
2.98
ALogP
5
HBA
3
HBD
96.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substr... | 23664164 |
| Amine oxidase [copper-containing] 3 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as subs... | 23664164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23664164 | 10.1016/j.bmc.2013.04.011 | Amine oxidase [copper-containing] 3 | 2 |
Data from ChEMBL 36 via Core Engine