Compound Detail
CHEMBL45511
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Basic Information
| ChEMBL ID | CHEMBL45511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCDCVAKHGAIARI-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
3.46
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3254 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 4.06 | 4.06 | 87000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 2100.0 | nM | 5.68 | Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay | 18951803 |
| Amine oxidase [flavin-containing] A | Ki | = | 87000.0 | nM | 4.06 | Inhibitory activity against Monoamine oxidase A | 10794685 |
| Amine oxidase [flavin-containing] A | Ki | = | 87096.36 | nM | 4.06 | Inhibitory activity against Monoamine oxidase A | 10794685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794685 | 10.1021/jm991164x | Amine oxidase [flavin-containing] A | 2 |
| 10794685 | 10.1021/jm991164x | Amine oxidase [flavin-containing] B | 2 |
| 18951803 | 10.1016/j.bmc.2008.09.072 | Unchecked | 1 |
| 18951803 | 10.1016/j.bmc.2008.09.072 | Amine oxidase [flavin-containing] B | 1 |
| 18951803 | 10.1016/j.bmc.2008.09.072 | Amine oxidase [flavin-containing] A | 1 |
| 21397504 | 10.1016/j.bmcl.2011.02.072 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine