Compound Detail
CHEMBL1939853
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Basic Information
| ChEMBL ID | CHEMBL1939853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCMHRVDYJZJHBG-VIFPVBQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
2.14
ALogP
4
HBA
0
HBD
83.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3254 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 0.8 | nM | 9.1 | Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by... | 22017497 |
| Amine oxidase [flavin-containing] B | Ki | = | 20000.0 | nM | 4.7 | Inhibition of bovine brain MAOB using kynuramine as a substrate after 30 mins by... | 22017497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22017497 | 10.1021/jm201011x | Amine oxidase [flavin-containing] A | 2 |
| 22017497 | 10.1021/jm201011x | Amine oxidase [flavin-containing] B | 1 |
| 22017497 | 10.1021/jm201011x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine