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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4604 | 87-99-0 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.492 | High | 0.83 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.132 | High | 0.83 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.581 | 10^-6 cm/s | High | 0.83 |
| dh-clint | Dog hepatocyte intrinsic clearance | 0.582 | uL/min/10^6 cells | High | 0.83 |
| dppb | Dog plasma protein binding (% unbound) | 91.890 | % | High | 0.83 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 96.890 | % | High | 0.83 |
| herg | hERG pIC50 | 3.565 | pIC50 | High | 0.83 |
| hh-clint | Human hepatocyte intrinsic clearance | 0.839 | uL/min/10^6 cells | High | 0.83 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.105 | uL/min/mg protein | High | 0.83 |
| hppb | Human plasma protein binding (% unbound) | 82.620 | % | High | 0.83 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.228 | High | 0.83 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 0.175 | High | 0.83 | |
| mppb | Mouse plasma protein binding (% unbound) | 97.790 | High | 0.83 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.253 | High | 0.83 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 96.590 | % | High | 0.83 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.227 | uL/min/10^6 cells | High | 0.83 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 96.750 | % | High | 0.83 |
| rppb | Rat plasma protein binding (% unbound) | 97.200 | % | High | 0.83 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 977.237 | uM | High | 0.83 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D005421 | Flavoring Agents |
| MeSH PA | D005503 | Food Additives |
| MeSH PA | D013549 | Sweetening Agents |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:50505 | sweetening agent |
| CHEBI has role | CHEBI:50904 | allergen |
| CHEBI has role | CHEBI:59174 | hapten |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:75772 | <em>Saccharomyces cerevisiae </em> metabolite |
| CHEBI has role | CHEBI:77746 | human metabolite |
| CHEBI has role | CHEBI:84735 | algal metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Prevention of dental caries | indication | 426482000 | |
| Gingivitis | off-label use | 66383009 | DOID:3087 |
| Dental Plaque Prevention | off-label use | ||
| Dental fluorosis | contraindication | 30265004 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.28 | acidic |
| pKa2 | 13.89 | acidic |
None
None
None
| ID | Source |
|---|---|
| D00061 | KEGG_DRUG |
| 4020499 | VUID |
| N0000148228 | NUI |
| 4020499 | VANDF |
| CHEBI:17151 | CHEBI |
| XYL | PDB_CHEM_ID |
| CHEMBL96783 | ChEMBL_ID |
| DB11195 | DRUGBANK_ID |
| VCQ006KQ1E | UNII |
| 11377 | RXNORM |
| 26100 | MMSL |
| NOCODE | MMSL |
| d07373 | MMSL |
| 006331 | NDDF |
| 395951005 | SNOMEDCT_US |
| 398986008 | SNOMEDCT_US |
| C0043369 | UMLSCUI |
| D014993 | MESH_DESCRIPTOR_UI |
| 6912 | PUBCHEM_CID |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Noble G Plus | HUMAN OTC DRUG LABEL | 1 | 60319-3001 | PASTE, DENTIFRICE | 0.70 g | DENTAL | unapproved drug other | 8 sections |
| Noble 1 Plus | HUMAN OTC DRUG LABEL | 1 | 60319-4001 | POWDER, DENTIFRICE | 0.70 g | DENTAL | unapproved drug other | 9 sections |
| YUMAKI ORIGINAL MINT TOOTH | HUMAN OTC DRUG LABEL | 7 | 71746-010 | PASTE, DENTIFRICE | 0.10 g | TOPICAL | unapproved drug other | 8 sections |
| ADEA GARGLE | HUMAN OTC DRUG LABEL | 2 | 72191-0100 | TABLET, CHEWABLE | 5 g | ORAL | unapproved drug other | 7 sections |
| CELRAUM PHEROMONE FRAGRANCE LOVELY PERFUME | HUMAN OTC DRUG LABEL | 6 | 75368-040 | SHAMPOO | 0.02 g | TOPICAL | unapproved drug other | 9 sections |
| Hoo gargle (Mouthwash) | HUMAN OTC DRUG LABEL | 1 | 81840-1001 | LIQUID | 1 g | DENTAL | unapproved drug other | 7 sections |
| Hoo gargle (Rooibos Tea Flavor)(Mouthwash) | HUMAN OTC DRUG LABEL | 1 | 81840-1003 | LIQUID | 1 g | DENTAL | unapproved drug other | 7 sections |
| Hoo gargle (Jasmine Flavor)(Mouthwash) | HUMAN OTC DRUG LABEL | 1 | 81840-1022 | LIQUID | 1 g | DENTAL | unapproved drug other | 7 sections |
| BOP whiteningtoothpaste | HUMAN OTC DRUG LABEL | 2 | 82574-001 | GEL | 3 g | TOPICAL | unapproved drug other | 8 sections |
| Kids Oral Care Strawberry Flavor | HUMAN OTC DRUG LABEL | 2 | 82711-101 | SPRAY | 2 mg | DENTAL | unapproved drug other | 10 sections |
| Kids Oral Care Peach Flavor | HUMAN OTC DRUG LABEL | 2 | 82711-102 | SPRAY | 2 mg | DENTAL | unapproved drug other | 10 sections |
| Kids Oral Care Vanilla Flavor | HUMAN OTC DRUG LABEL | 2 | 82711-103 | SPRAY | 2 mg | DENTAL | unapproved drug other | 10 sections |
| Kids Oral Care Grape Flavor | HUMAN OTC DRUG LABEL | 2 | 82711-104 | SPRAY | 2 mg | DENTAL | unapproved drug other | 10 sections |
| Kids Oral Care Watermelon Flavor | HUMAN OTC DRUG LABEL | 2 | 82711-105 | SPRAY | 2 mg | DENTAL | unapproved drug other | 10 sections |
| Kids Oral Care Flavor Free | HUMAN OTC DRUG LABEL | 2 | 82711-106 | SPRAY | 2 mg | DENTAL | unapproved drug other | 10 sections |
| GZE Mouthwash | HUMAN OTC DRUG LABEL | 3 | 83566-035 | LIQUID | 2 g | TOPICAL | OTC Monograph Drug | 11 sections |
| Dry Mouth MoisturizingSpray | HUMAN OTC DRUG LABEL | 2 | 84025-097 | SPRAY | 3 mg | CUTANEOUS | OTC Monograph Drug | 4 sections |
| Dry MonthSpray | HUMAN OTC DRUG LABEL | 2 | 84025-159 | SPRAY | 3 mg | DENTAL | OTC Monograph Drug | 5 sections |
| Dry Month MoisturizingSpray | HUMAN OTC DRUG LABEL | 2 | 84025-160 | SPRAY | 3 mg | DENTAL | OTC Monograph Drug | 5 sections |
| hydrating mouthspray | HUMAN OTC DRUG LABEL | 2 | 84025-251 | LIQUID | 3 mg | CUTANEOUS | OTC Monograph Drug | 5 sections |
| Peppermint mouthspray | HUMAN OTC DRUG LABEL | 2 | 84025-257 | SPRAY | 3 mg | CUTANEOUS | OTC Monograph Drug | 5 sections |
| dry mouth moisturizingspray | HUMAN OTC DRUG LABEL | 2 | 84025-267 | LIQUID | 3 mg | CUTANEOUS | OTC Monograph Drug | 5 sections |
| Teeth whitening powder | HUMAN OTC DRUG LABEL | 2 | 84025-281 | POWDER | 5 mg | CUTANEOUS | OTC Monograph Drug | 5 sections |
| PurpleToothpaste | HUMAN OTC DRUG LABEL | 1 | 84117-036 | LOTION | 20 mg | ORAL | OTC Monograph Drug | 7 sections |
| ORALHOE Probiotic Brightening | HUMAN OTC DRUG LABEL | 4 | 84660-036 | CREAM | 30 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Teeth Cleaning | HUMAN OTC DRUG LABEL | 2 | 84732-026 | TABLET, CHEWABLE | 1 mg | DENTAL | OTC Monograph Drug | 9 sections |
| Teeth Cleaning | HUMAN OTC DRUG LABEL | 2 | 84732-051 | TABLET, CHEWABLE | 1 mg | DENTAL | OTC Monograph Drug | 9 sections |