Compound Detail
CHEMBL1821748
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Basic Information
| ChEMBL ID | CHEMBL1821748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBRYJAAWKRWXCV-RMKNXTFCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.8
MW (Da)
3.17
ALogP
3
HBA
0
HBD
20.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDGSH iron-sulfur domain-containing protein 1 CHEMBL1795168 | IC50 | 5.3 | 5.3 | 4980.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.44 | 4.44 | 36480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDGSH iron-sulfur domain-containing protein 1 | IC50 | = | 4980.0 | nM | 5.3 | Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged ... | 21782425 |
| Amine oxidase [flavin-containing] B | IC50 | = | 36480.0 | nM | 4.44 | Inhibition of human recombinant MAOB by amplex red assay | 21742494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21742494 | 10.1016/j.bmcl.2011.06.060 | Amine oxidase [flavin-containing] B | 1 |
| 21742494 | 10.1016/j.bmcl.2011.06.060 | Amine oxidase [flavin-containing] A | 1 |
| 21782425 | 10.1016/j.bmcl.2011.06.111 | CDGSH iron-sulfur domain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine