Compound Detail
CHEMBL1275999
GAMMA-THUJAPLICIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1275999 |
| Name | GAMMA-THUJAPLICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKEWHSLZDDZONF-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
164.2
MW (Da)
1.88
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.16
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 7.16 | 7.16 | 70.0 | 3 |
| Mushroom tyrosinase CHEMBL6066154 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 5.94 | 5.94 | 1150.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 20.0 | nM | 7.7 | Competitive inhibition of mushroom tyrosinase after 15 mins by Lineweaver-Burke ... | 20947360 |
| Tyrosinase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of mushroom tyrosinase after 15 mins | 20947360 |
| Tyrosinase | IC50 | = | 70.0 | nM | 7.16 | Non-competitive inhibition of mushroom tyrosinase | 25288494 |
| Tyrosinase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of mushroom tyrosinase | 29763564 |
| Mushroom tyrosinase | Ki | = | 70.0 | nM | 7.16 | Binding affinity to mushroom Tyrosinase using L-DOPA as substrate assessed as in... | 37487307 |
| Tyrosinase | IC50 | = | 1150.0 | nM | 5.94 | Competitive inhibition of tyrosinase in human G-361 cells incubated for 10 mins ... | 25288494 |
| Tyrosinase | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of human tyrosinase | 29763564 |
| Tyrosinase | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of human tyrosinase using L-DOPA as substrate by spectrophotometer an... | 37487307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10963310 | 10.1248/bpb.23.995 | Coptotermes formosanus | 13 |
| 10963310 | 10.1248/bpb.23.995 | Tyrophagus putrescentiae | 8 |
| 25288494 | 10.1016/j.bmc.2014.08.027 | Tyrosinase | 4 |
| 20947360 | 10.1016/j.bmc.2010.08.056 | Tyrosinase | 4 |
| 25089179 | 10.1039/c4md00055b | Molecular identity unknown | 3 |
| 29763564 | 10.1021/acs.jmedchem.7b00967 | Tyrosinase | 2 |
| 10963310 | 10.1248/bpb.23.995 | Lenzites betulinus | 1 |
| 10963310 | 10.1248/bpb.23.995 | Schizophyllum commune | 1 |
| 10963310 | 10.1248/bpb.23.995 | Trametes versicolor | 1 |
| 10963310 | 10.1248/bpb.23.995 | Daedalea dickinsii | 1 |
| 10963310 | 10.1248/bpb.23.995 | Trametes coccinea | 1 |
| 25288494 | 10.1016/j.bmc.2014.08.027 | Unchecked | 1 |
| 25089179 | 10.1039/c4md00055b | Poria | 1 |
| 25089179 | 10.1039/c4md00055b | Coniophora puteana | 1 |
| 29763564 | 10.1021/acs.jmedchem.7b00967 | Unchecked | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Mushroom tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine