Compound Detail
CHEMBL1241292
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Basic Information
| ChEMBL ID | CHEMBL1241292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIOQNQHXHNXZEJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
1.32
ALogP
3
HBA
1
HBD
38.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 6.24 | 6.24 | 575.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.51 | 4.51 | 30903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 575.44 | nM | 6.24 | Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by co... | 20690686 |
| Unchecked | IC50 | = | 30902.95 | nM | 4.51 | Inhibition of rat liver MAO after 30 mins by coupled colorimetric method | 20690686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20690686 | 10.1021/jm100337z | Unchecked | 2 |
| 20690686 | 10.1021/jm100337z | Amine oxidase [copper-containing] 3 | 1 |
Data from ChEMBL 36 via Core Engine