Compound Detail
CHEMBL1938897
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Basic Information
| ChEMBL ID | CHEMBL1938897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAXGPAVOMLKKDQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.66
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | Ki | = | 5.0 | nM | 8.3 | Inhibition of LSD1 | 21955276 |
| Amine oxidase [flavin-containing] B | Ki | = | 7400.0 | nM | 5.13 | Inhibition of MAO B | 21955276 |
| Amine oxidase [flavin-containing] A | Ki | = | 16000.0 | nM | 4.8 | Inhibition of MAO A | 21955276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21955276 | 10.1021/jm201048w | Amine oxidase [flavin-containing] B | 1 |
| 21955276 | 10.1021/jm201048w | Amine oxidase [flavin-containing] A | 1 |
| 21955276 | 10.1021/jm201048w | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine