Compound Detail
CHEMBL127880
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 | CHEMBL127880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXAMPLSBRNFBAB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
3.36
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.46 | 4.46 | 34300.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 4.03 | 4.03 | 93325.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 34300.0 | nM | 4.46 | Ability to inhibit Monoamine oxidase A enzyme | 7562919 |
| Amine oxidase [flavin-containing] B | IC50 | = | 93700.0 | nM | 4.03 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
| Amine oxidase [flavin-containing] B | IC50 | = | 93325.43 | nM | 4.03 | Inhibitory activity against Monoamine oxidase B from rat brain mitochondria | 9748356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748356 | 10.1021/jm981005y | No relevant target | 3 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] A | 1 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] B | 1 |
| 9748356 | 10.1021/jm981005y | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine