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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 629 | 154-23-4 |
None
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:22586 | antioxidants |
| CHEBI has role | CHEBI:76924 | plant metabolites |
| CHEBI has role | CHEBI:25212 | metabolites |
| CHEBI has role | CHEBI:63726 | neuroprotective agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Condyloma acuminatum | indication | 240542006 | DOID:11168 |
| Poisoning by digitalis glycoside | contraindication | 12876009 | |
| Constipation | contraindication | 14760008 | DOID:2089 |
| Sarcoidosis | contraindication | 31541009 | DOID:11335 |
| Hypercalcemia | contraindication | 66931009 | DOID:12678 |
| Hypercalciuria | contraindication | 71938000 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Kidney stone | contraindication | 95570007 | |
| Open wound | contraindication | 125643001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.74 | acidic |
| pKa2 | 9.15 | acidic |
| pKa3 | 11.44 | acidic |
| pKa4 | 12.17 | acidic |
| pKa5 | 13.78 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | Enzyme | IC50 | 4.52 | CHEMBL | |||||
| Prostaglandin G/H synthase 2 | Enzyme | IC50 | 4.03 | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 4.44 | CHEMBL | |||||
| Carbonic anhydrase 2 | Enzyme | Ki | 5.74 | CHEMBL | |||||
| Carbonic anhydrase 1 | Enzyme | Ki | 5.62 | CHEMBL | |||||
| Carbonic anhydrase 4 | Enzyme | Ki | 5.31 | CHEMBL | |||||
| Carbonic anhydrase 9 | Enzyme | Ki | 5.30 | CHEMBL | |||||
| Carbonic anhydrase 12 | Enzyme | Ki | 5.33 | CHEMBL | |||||
| Prothrombin | Enzyme | Kd | 4.31 | CHEMBL | |||||
| Melatonin receptor type 1A | GPCR | IC50 | 4.59 | CHEMBL | |||||
| Melatonin receptor type 1B | GPCR | IC50 | 4.33 | CHEMBL | |||||
| Mast/stem cell growth factor receptor Kit | Kinase | IC50 | 4.80 | CHEMBL | |||||
| Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 5.38 | CHEMBL | |||||
| Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 5.40 | CHEMBL | |||||
| Carbonic anhydrase 7 | Enzyme | Ki | 6.35 | CHEMBL | |||||
| 72 kDa type IV collagenase | Enzyme | IC50 | 4.65 | CHEMBL | |||||
| Carbonic anhydrase 3 | Enzyme | Ki | 5.45 | CHEMBL | |||||
| Stromelysin-1 | Enzyme | IC50 | 4.47 | CHEMBL | |||||
| Carbonic anhydrase 6 | Enzyme | Ki | 5.31 | CHEMBL | |||||
| Carbonic anhydrase 14 | Enzyme | Ki | 4.94 | CHEMBL | |||||
| Matrix metalloproteinase-9 | Enzyme | IC50 | 4.50 | CHEMBL | |||||
| Macrophage metalloelastase | Enzyme | IC50 | 5.24 | CHEMBL | |||||
| Collagenase 3 | Enzyme | IC50 | 4.46 | CHEMBL | |||||
| Carbonic anhydrase 13 | Enzyme | Ki | 4.98 | CHEMBL | |||||
| Amyloid beta A4 protein | Membrane other | IC50 | 4.48 | CHEMBL | |||||
| Sclerostin | Glycoprotein | Kd | 5.80 | CHEMBL | |||||
| Pyruvate kinase PKM | Enzyme | IC50 | 5.94 | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | Kd | 4.39 | CHEMBL | |||||
| Polyphenol oxidase 2 | Enzyme | Ki | 5.07 | CHEMBL | |||||
| Carbonic anhydrase 15 | Enzyme | Ki | 5.11 | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 4.10 | CHEMBL | |||||
| Arginase | Enzyme | Ki | 6.22 | CHEMBL | |||||
| P-glycoprotein 3 | Transporter | Kd | 4.43 | CHEMBL | |||||
| Dihydroorotate dehydrogenase | Enzyme | IC50 | 4.01 | CHEMBL |
| ID | Source |
|---|---|
| 4028923 | VUID |
| N0000179809 | NUI |
| D00200 | KEGG_DRUG |
| 1367177 | RXNORM |
| C0007404 | UMLSCUI |
| CHEBI:15600 | CHEBI |
| CHEMBL311498 | ChEMBL_ID |
| DB14086 | DRUGBANK_ID |
| CHEMBL206452 | ChEMBL_ID |
| 9064 | PUBCHEM_CID |
| 4804 | INN_ID |
| 8R1V1STN48 | UNII |
| 008593 | NDDF |
| 423247009 | SNOMEDCT_US |
| 423717008 | SNOMEDCT_US |
| D002392 | MESH_DESCRIPTOR_UI |
| KXN | PDB_CHEM_ID |
| 13091 | IUPHAR_LIGAND_ID |
| 4028923 | VANDF |
| 8R1V1STN48 | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Slim 2 | HUMAN OTC DRUG LABEL | 1 | 60314-1001 | POWDER | 0.45 g | ORAL | unapproved drug other | 8 sections |