Compound Detail
CHEMBL1269118
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Basic Information
| ChEMBL ID | CHEMBL1269118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGWADTFLQQUACM-BQYQJAHWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
3.31
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.12 | 5.12 | 7670.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.38 | 4.38 | 41800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 7670.0 | nM | 5.12 | Inhibition of human recombinant MAO-B expressed in insect cell microsomes using ... | 23860591 |
| Amine oxidase [flavin-containing] A | IC50 | = | 41800.0 | nM | 4.38 | Inhibition of human recombinant MAO-A expressed in insect cell microsomes using ... | 23860591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20850299 | 10.1016/j.bmcl.2010.08.127 | Mycobacterium tuberculosis | 1 |
| 20850299 | 10.1016/j.bmcl.2010.08.127 | Vero | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Unchecked | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Amine oxidase [flavin-containing] B | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Amine oxidase [flavin-containing] A | 1 |
| 26204510 | 10.1016/j.ejmech.2015.06.029 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine