Compound Detail
CHEMBL549617
UNCINANONE A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL549617 |
| Name | UNCINANONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMPVAPMCVABQPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.79
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of melanin synthesis in NHEM after 24 hrs by liquid scintillation | 19102656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 19102656 | 10.1021/np800535g | Unchecked | 1 |
| 19102656 | 10.1021/np800535g | ADMET | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Influenza A virus | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine