Compound Detail
CHEMBL463404
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL463404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQMHTDGEFUNXNZ-SNAWJCMRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.76
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ornithine decarboxylase CHEMBL1869 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of bovine NADH-ubiquinone oxidoreductase | 10075742 |
| Ornithine decarboxylase | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of phorbol ester-induced ornithine decarboxylase in human MCF7 cells ... | 10075742 |
| NON-PROTEIN TARGET | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxicity against mouse Hepa1clc7 cells after 72 hrs | 10075742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10075742 | 10.1021/np980119+ | Unchecked | 1 |
| 10075742 | 10.1021/np980119+ | Ornithine decarboxylase | 1 |
| 10075742 | 10.1021/np980119+ | MCF7 | 1 |
| 10075742 | 10.1021/np980119+ | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine