Compound Detail
CHEMBL464529
NUCIFERINE 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 | CHEMBL464529 |
| Name | NUCIFERINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORJVQPIHKOARKV-OAHLLOKOSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.46
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.83
Ki 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Patatin-like phospholipase domain-containing protein 2 CHEMBL3822353 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 4.83 | 4.83 | 14830.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 4.66 | 4.66 | 21760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Patatin-like phospholipase domain-containing protein 2 | Ki | = | 31.0 | nM | 7.51 | Inhibition of ATGL ubiquitination in human HepG2 cells assessed as inhibition co... | 38295689 |
| D(2) dopamine receptor | IC50 | = | 14830.0 | nM | 4.83 | Agonist activity at D2 receptor (unknown origin) transfected in HEK293 cells by ... | 39038276 |
| Unchecked | IC50 | = | 15800.0 | nM | 4.8 | Inhibition of melanogenesis in mouse B16-4A5 cells after 72 hrs by spectrophotom... | 23270663 |
| D(1A) dopamine receptor | IC50 | = | 21760.0 | nM | 4.66 | Agonist activity at D1 receptor (unknown origin) transfected in HEK293 cells by ... | 39038276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23270663 | 10.1016/j.bmc.2012.11.038 | NON-PROTEIN TARGET | 9 |
| 23270663 | 10.1016/j.bmc.2012.11.038 | Unchecked | 6 |
| 30108948 | 10.1039/C7MD00629B | Unchecked | 6 |
| 23270663 | 10.1016/j.bmc.2012.11.038 | ADMET | 2 |
| 30108948 | 10.1039/C7MD00629B | 5-hydroxytryptamine receptor 2C | 2 |
| 30108948 | 10.1039/C7MD00629B | 5-hydroxytryptamine receptor 2B | 2 |
| 30108948 | 10.1039/C7MD00629B | 5-hydroxytryptamine receptor 2A | 2 |
| 30108948 | 10.1039/C7MD00629B | Alpha-1A adrenergic receptor | 2 |
| 30108948 | 10.1039/C7MD00629B | Alpha-1B adrenergic receptor | 2 |
| 30108948 | 10.1039/C7MD00629B | Alpha-1D adrenergic receptor | 2 |
| 23270663 | 10.1016/j.bmc.2012.11.038 | Tyrosinase | 1 |
| 30108948 | 10.1039/C7MD00629B | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | Patatin-like phospholipase domain-containing protein 2 | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(1A) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine