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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4648 | 97-53-0 |
None
None
| 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 |
|---|---|---|
| FDA CS | M0000728 | Allergens |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D012997 | Solvents |
| CHEBI has role | CHEBI:27311 | volatile oil component |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35617 | flavouring agent |
| CHEBI has role | CHEBI:38623 | EC 1.4.3.4 (monoamine oxidase) inhibitor |
| CHEBI has role | CHEBI:38634 | voltage-gated sodium channel blocker |
| CHEBI has role | CHEBI:38867 | anaesthetic |
| CHEBI has role | CHEBI:48578 | radical scavenger |
| CHEBI has role | CHEBI:50904 | allergen |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:68495 | apoptosis inducer |
| CHEBI has role | CHEBI:73240 | NF-ÎșB inhibitor |
| CHEBI has role | CHEBI:85234 | human blood serum metabolite |
| CHEBI has role | CHEBI:139492 | sensitiser |
| FDA PE | N0000175629 | Increased Histamine Release |
| FDA PE | N0000184306 | Cell-mediated Immunity |
| FDA EPC | N0000185508 | Standardized Chemical Allergen |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.12 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 4.96 | CHEMBL | |||||
| Arachidonate 5-lipoxygenase | Enzyme | IC50 | 4.58 | CHEMBL | |||||
| Transient receptor potential cation channel subfamily M member 8 | Ion channel | EC50 | 4.18 | CHEMBL |
| ID | Source |
|---|---|
| D04117 | KEGG_DRUG |
| 4019118 | VUID |
| N0000147369 | NUI |
| 4019118 | VANDF |
| C0015153 | UMLSCUI |
| CHEBI:4917 | CHEBI |
| EOL | PDB_CHEM_ID |
| CHEMBL42710 | ChEMBL_ID |
| DB09086 | DRUGBANK_ID |
| 2425 | IUPHAR_LIGAND_ID |
| 3T8H1794QW | UNII |
| 3314 | PUBCHEM_CID |
| 4186 | RXNORM |
| 12028 | MMSL |
| NOCODE | MMSL |
| 001106 | NDDF |
| 255924000 | SNOMEDCT_US |
| 411361005 | SNOMEDCT_US |
| D005054 | MESH_DESCRIPTOR_UI |
| 3T8H1794QW | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Red Cross Toothache | HUMAN OTC DRUG LABEL | 1 | 10742-0009 | LIQUID | 850 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| AnaDent Childrens Kanka Gel | HUMAN OTC DRUG LABEL | 1 | 27854-178 | GEL | 12 mg | DENTAL | OTC Monograph Drug | 11 sections |
| DenTek Eugenol | HUMAN OTC DRUG LABEL | 1 | 60630-566 | LIQUID | 850 mg | DENTAL | OTC monograph not final | 12 sections |
| Walgreens Natural Eugenol/Toothache Medicationwith cotton pellets and tweezers | HUMAN OTC DRUG LABEL | 1 | 60630-608 | LIQUID | 850 mg | DENTAL | OTC monograph not final | 9 sections |
| DenTek Eugenol | HUMAN OTC DRUG LABEL | 1 | 67659-400 | LIQUID | 850 mg | DENTAL | OTC monograph not final | 12 sections |
| Walgreens Natural Eugenol/Toothache Medicationwith cotton pellets and tweezers | HUMAN OTC DRUG LABEL | 1 | 67659-405 | LIQUID | 850 mg | DENTAL | OTC monograph not final | 9 sections |
| Eugenol Toothache Medication | HUMAN OTC DRUG LABEL | 1 | 67659-415 | LIQUID | 850 mg | DENTAL | OTC monograph not final | 12 sections |
| Nuby Teething Gel | HUMAN OTC DRUG LABEL | 1 | 70797-230 | GEL | 13 mg | TOPICAL | OTC monograph not final | 8 sections |
| Nuby Teething Gel | HUMAN OTC DRUG LABEL | 1 | 71552-231 | GEL | 8 mg | TOPICAL | OTC monograph not final | 8 sections |
| PainONil | HUMAN OTC DRUG LABEL | 3 | 73417-758 | OINTMENT | 20 mg | TOPICAL | OTC monograph not final | 13 sections |
| TotalArthritis | HUMAN OTC DRUG LABEL | 3 | 73417-852 | OINTMENT | 40 mg | TOPICAL | OTC monograph not final | 13 sections |
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 24 | 83021-553 | CREAM | 0.00 g | TOPICAL | OTC monograph final | 9 sections |
| DenTek Eugenol | HUMAN OTC DRUG LABEL | 1 | 83062-400 | LIQUID | 850 mg | DENTAL | OTC monograph not final | 12 sections |