Compound Detail
CHEMBL589325
SILICRISTIN B Enter ChEMBL ID:
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COc1cc([C@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3[C@@H]2CO)ccc1O
Basic Information
| ChEMBL ID | CHEMBL589325 |
| Name | SILICRISTIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMLIIPOXVWESJG-KEDVUCMTSA-N |
1
Targets
6
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
2.40
ALogP
10
HBA
6
HBD
166.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.55
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 5.55 | 5.0025 | 2800.0 | 4 |
| Tyrosinase CHEMBL3318 | IC50 | 5.35 | 4.85 | 4500.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 2.875 | 10'6L/mol | Agaricus bisporus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 2800.0 | nM | 5.55 | Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed ... | 30871862 |
| Tyrosinase | Ki | = | 2800.0 | nM | 5.55 | Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibiti... | 30871862 |
| Tyrosinase | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of monophenolase activity of mushroom tyrosinase assessed as reductio... | 30871862 |
| Tyrosinase | Ki | = | 34700.0 | nM | 4.46 | Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition... | 30871862 |
| Tyrosinase | Ki | = | 35500.0 | nM | 4.45 | Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as... | 30871862 |
| Tyrosinase | IC50 | = | 44900.0 | nM | 4.35 | Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction ... | 30871862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30871862 | 10.1016/j.bmc.2019.03.013 | Tyrosinase | 12 |
| 20189399 | 10.1016/j.bmc.2010.01.046 | Unchecked | 4 |
| 20189399 | 10.1016/j.bmc.2010.01.046 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine