Compound Detail
CHEMBL4080704
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Basic Information
| ChEMBL ID | CHEMBL4080704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KALLMFKCLAJULE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.7
MW (Da)
3.71
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.04 | 8.04 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 9.03 | nM | 8.04 | Inhibition of human recombinant microsomal MAOB expressed in baculovirus infecte... | 28753307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28753307 | 10.1021/acs.jmedchem.7b00918 | Amine oxidase [flavin-containing] B | 1 |
| 28753307 | 10.1021/acs.jmedchem.7b00918 | Amine oxidase [flavin-containing] A | 1 |
| 28753307 | 10.1021/acs.jmedchem.7b00918 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine