Compound Detail
CHEMBL7973
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Basic Information
| ChEMBL ID | CHEMBL7973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSNQCLMGWCDWPM-IZZDOVSWSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.26
Ki 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| P388 CHEMBL389 | IC50 | 5.26 | 5.26 | 5510.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.95 | 4.77 | 11300.0 | 2 |
| L1210 CHEMBL386 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.59 | 4.59 | 25400.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 600.0 | nM | 6.22 | Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells asse... | 24986657 |
| P388 | IC50 | = | 5510.0 | nM | 5.26 | Inhibition of proliferation of murine P388 cells | 9544201 |
| Homo sapiens | IC50 | = | 11300.0 | nM | 4.95 | Concentration required to inhibit 50% growth of Human CEM T-lymphocytes cells | 9544201 |
| L1210 | IC50 | = | 24700.0 | nM | 4.61 | Concentration required to inhibit 50% growth of L1210 leukemia cells | 9544201 |
| Homo sapiens | IC50 | = | 25400.0 | nM | 4.59 | Concentration required to inhibit 50% growth of human Molt 4/C8 T-lymphocyte cel... | 9544201 |
| Plasmodium falciparum | IC50 | = | 25400.0 | nM | 4.59 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
| Amine oxidase [flavin-containing] B | Ki | = | 27000.0 | nM | 4.57 | Inhibition of human MAOB expressed in baculovirus-infected BTI insect cells asse... | 24986657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24986657 | 10.1016/j.bmcl.2014.06.015 | Amine oxidase [flavin-containing] A | 3 |
| 9544201 | 10.1021/jm970432t | Homo sapiens | 2 |
| 9544201 | 10.1021/jm970432t | P388 | 1 |
| 9544201 | 10.1021/jm970432t | L1210 | 1 |
| 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