Compound Detail
CHEMBL1945153
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Basic Information
| ChEMBL ID | CHEMBL1945153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJXARBMPJZTTEJ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
4.03
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.7 | 8.3333 | 2.0 | 3 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.97 | 6.155 | 106.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant human monoamine oxidase B expressed in insect microsom... | 22309913 |
| Amine oxidase [flavin-containing] B | IC50 | = | 2.0 | nM | 8.7 | Inhibition of MAOB (unknown origin) | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 25.31 | nM | 7.6 | Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as ... | 27692996 |
| Amine oxidase [flavin-containing] A | IC50 | = | 106.0 | nM | 6.97 | Inhibition of recombinant human monoamine oxidase A expressed in insect microsom... | 22309913 |
| Amine oxidase [flavin-containing] A | IC50 | = | 4520.0 | nM | 5.34 | Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as ... | 27692996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27692996 | 10.1016/j.bmc.2016.09.050 | Rattus norvegicus | 2 |
| 27692996 | 10.1016/j.bmc.2016.09.050 | NON-PROTEIN TARGET | 2 |
| 22309913 | 10.1016/j.ejmech.2012.01.037 | Amine oxidase [flavin-containing] A | 1 |
| 22309913 | 10.1016/j.ejmech.2012.01.037 | Amine oxidase [flavin-containing] B | 1 |
| 22309913 | 10.1016/j.ejmech.2012.01.037 | Unchecked | 1 |
| - | 10.1039/C5MD00357A | Amine oxidase [flavin-containing] B | 1 |
| 27692996 | 10.1016/j.bmc.2016.09.050 | Amine oxidase [flavin-containing] B | 1 |
| 27692996 | 10.1016/j.bmc.2016.09.050 | Amine oxidase [flavin-containing] A | 1 |
| 27692996 | 10.1016/j.bmc.2016.09.050 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine