Compound Detail
CHEMBL140711
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Basic Information
| ChEMBL ID | CHEMBL140711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSTYRJCRRHXXQH-KPKJPENVSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.90
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.25
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 4.83 | 4.83 | 14900.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 560.0 | nM | 6.25 | Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells asse... | 24986657 |
| Amine oxidase [flavin-containing] B | Ki | = | 14900.0 | nM | 4.83 | Inhibition of human MAOB expressed in baculovirus-infected BTI insect cells asse... | 24986657 |
| Plasmodium falciparum | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24986657 | 10.1016/j.bmcl.2014.06.015 | Amine oxidase [flavin-containing] A | 3 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 24986657 | 10.1016/j.bmcl.2014.06.015 | Amine oxidase [flavin-containing] B | 1 |
| 24986657 | 10.1016/j.bmcl.2014.06.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine