Compound Detail
CHEMBL1830800
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Basic Information
| ChEMBL ID | CHEMBL1830800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFABXJTUEHBFNF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
266.2
MW (Da)
2.73
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.75 | 4.75 | 17970.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.29 | 4.29 | 51660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 17970.0 | nM | 4.75 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5... | 21872365 |
| Amine oxidase [flavin-containing] A | IC50 | = | 51660.0 | nM | 4.29 | Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5... | 21872365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23859213 | 10.1021/jm400546y | NON-PROTEIN TARGET | 4 |
| 23859213 | 10.1021/jm400546y | ADMET | 3 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] B | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] A | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine