Compound Detail
CHEMBL1240877
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Basic Information
| ChEMBL ID | CHEMBL1240877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYLHEAVZPYYUJZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
150.2
MW (Da)
1.03
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL3437 | IC50 | 6.96 | 6.96 | 109.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.27 | 5.27 | 5370.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 109.65 | nM | 6.96 | Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by co... | 20690686 |
| Unchecked | IC50 | = | 5370.32 | nM | 5.27 | 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