Compound Detail
CHEMBL1275969
ALPHA-THUJAPLICIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1275969 |
| Name | ALPHA-THUJAPLICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUFYVOCKVJOUIR-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
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 5.02
Ki 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.02 | 5.02 | 9530.0 | 3 |
| Mushroom tyrosinase CHEMBL6066154 | Ki | 5.02 | 5.02 | 9500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.5667 | 12000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 3300.0 | nM | 5.48 | Competitive inhibition of mushroom tyrosinase after 15 mins by Lineweaver-Burke ... | 20947360 |
| Tyrosinase | IC50 | = | 9530.0 | nM | 5.02 | Inhibition of mushroom tyrosinase after 15 mins | 20947360 |
| Tyrosinase | IC50 | = | 9530.0 | nM | 5.02 | Non-competitive inhibition of mushroom tyrosinase | 25288494 |
| Tyrosinase | IC50 | = | 9530.0 | nM | 5.02 | Inhibition of mushroom tyrosinase | 29763564 |
| Mushroom tyrosinase | Ki | = | 9500.0 | nM | 5.02 | Binding affinity to mushroom Tyrosinase using L-DOPA as substrate assessed as in... | 37487307 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human ribonuclease H | 25089179 |
| Unchecked | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of HIV2 reverse transcriptase RNase H | 25089179 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of HIV1 reverse transcriptase RNase H | 25089179 |
Literature References
Data from ChEMBL 36 via Core Engine