Compound Detail
CHEMBL188014
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Basic Information
| ChEMBL ID | CHEMBL188014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLCQJTHIMNTNQW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
2.66
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 110.0 | nM | 6.96 | Concentration required to inhibit monoamine oxidase activity by 50% | 15482934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31136174 | 10.1021/acs.jnatprod.9b00290 | HepG2 | 5 |
| 18632275 | 10.1016/j.bmc.2008.06.043 | Unchecked | 2 |
| 15482934 | 10.1016/j.bmcl.2004.08.066 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine