Compound Detail
CHEMBL1818874
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 | CHEMBL1818874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPLRKDWFIJZYMV-VZUCSPMQSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
197.2
MW (Da)
0.99
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Ki 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.58 | 4.58 | 26610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 120.0 | nM | 6.92 | Competitive inhibition of MAOB (unknown origin) using varying levels of benzylam... | 30568755 |
| Amine oxidase [flavin-containing] B | IC50 | = | 270.0 | nM | 6.57 | Inhibition of MAOB (unknown origin) using benzylamine as substrate preincubated ... | 30568755 |
| Tyrosinase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substr... | 21777998 |
| Acetylcholinesterase | IC50 | = | 26610.0 | nM | 4.58 | Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as su... | 30568755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30568755 | 10.1039/C8MD00399H | Amine oxidase [flavin-containing] B | 5 |
| 30568755 | 10.1039/C8MD00399H | Amine oxidase [flavin-containing] A | 2 |
| 21777998 | 10.1016/j.ejmech.2011.07.003 | Tyrosinase | 1 |
| 30568755 | 10.1039/C8MD00399H | Unchecked | 1 |
| 30568755 | 10.1039/C8MD00399H | Acetylcholinesterase | 1 |
| 30568755 | 10.1039/C8MD00399H | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine