Compound Detail
CHEMBL4439012
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Basic Information
| ChEMBL ID | CHEMBL4439012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITVRWVVFVHINOH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL417844 |
| Active Moiety | CHEMBL417844 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
192.3
MW (Da)
1.63
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Spermine oxidase CHEMBL2176769 | IC50 | 4.05 | 4.05 | 89700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Spermine oxidase | IC50 | = | 89700.0 | nM | 4.05 | Inhibition of SMOX (unknown origin) assessed as decrease in spermidine formation... | 31191868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31191868 | 10.1039/C8MD00610E | LSD1/CoREST complex | 2 |
| 31191868 | 10.1039/C8MD00610E | Amine oxidase [flavin-containing] A | 2 |
| 31191868 | 10.1039/C8MD00610E | Amine oxidase [flavin-containing] B | 2 |
| 31191868 | 10.1039/C8MD00610E | Spermine oxidase | 2 |
| 31191868 | 10.1039/C8MD00610E | Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | 1 |
Data from ChEMBL 36 via Core Engine