Compound Detail
CHEMBL130493
SILICRISTIN A 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 | CHEMBL130493 |
| Name | SILICRISTIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMLIIPOXVWESJG-LMBCONBSSA-N |
2
Targets
7
Activities
2
Assay Types
1
PK Parameters
16
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 5.68
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 8 CHEMBL5724590 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Tyrosinase CHEMBL3318 | Ki | 5.68 | 5.2475 | 2100.0 | 4 |
| Tyrosinase CHEMBL3318 | IC50 | 5.5 | 5.02 | 3200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 3.548 | 10'6L/mol | Agaricus bisporus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 8 | IC50 | = | 110.0 | nM | 6.96 | Affinity On-target Cellular interaction: (Inhibition of radiolabelled [125I]T3 u... | - |
| Tyrosinase | Ki | = | 2100.0 | nM | 5.68 | Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed ... | 30871862 |
| Tyrosinase | Ki | = | 2100.0 | nM | 5.68 | Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibiti... | 30871862 |
| Tyrosinase | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of monophenolase activity of mushroom tyrosinase assessed as reductio... | 30871862 |
| Tyrosinase | Ki | = | 15200.0 | nM | 4.82 | Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition... | 30871862 |
| Tyrosinase | Ki | = | 15400.0 | nM | 4.81 | Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as... | 30871862 |
| Tyrosinase | IC50 | = | 28800.0 | nM | 4.54 | 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 |
| 36651644 | 10.1021/acs.jnatprod.2c00843 | Replicase polyprotein 1ab | 2 |
| 20189399 | 10.1016/j.bmc.2010.01.046 | ADMET | 1 |
| 32883638 | 10.1016/j.ejmech.2020.112754 | Unchecked | 1 |
| - | 10.6019/CHEMBL5723379 | Monocarboxylate transporter 8 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine