Compound Detail
CHEMBL2377627
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Basic Information
| ChEMBL ID | CHEMBL2377627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBFMSIZYORSEPA-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
242.7
MW (Da)
4.24
ALogP
1
HBA
0
HBD
17.1
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 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.28 | 6.28 | 529.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 529.0 | nM | 6.28 | Inhibition of human recombinant MAO-B expressed in insect cell microsomes using ... | 23860591 |
| Amine oxidase [flavin-containing] B | IC50 | = | 529.0 | nM | 6.28 | Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome ... | 26432037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23584542 | 10.1016/j.ejmech.2013.03.029 | MCF7 | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Amine oxidase [flavin-containing] A | 1 |
| 23860591 | 10.1016/j.bmcl.2013.06.050 | Amine oxidase [flavin-containing] B | 1 |
| 25137491 | 10.1016/j.ejmech.2014.08.033 | MCF7 | 1 |
| 26432037 | 10.1016/j.bmcl.2015.09.049 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine