| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3631 | 3380-34-5 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.05 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 11, 1997 | FDA | COLGATE PALMOLIVE |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Toxic epidermal necrolysis | 182.26 | 105.68 | 35 | 97 | 21611 | 34935188 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Toxic epidermal necrolysis | 157.17 | 50.52 | 35 | 242 | 44546 | 79699565 |
| Drug hypersensitivity | 56.64 | 50.52 | 25 | 252 | 298891 | 79445220 |
None
| Source | Code | Description |
|---|---|---|
| ATC | D08AE04 | DERMATOLOGICALS ANTISEPTICS AND DISINFECTANTS ANTISEPTICS AND DISINFECTANTS Phenol and derivatives |
| ATC | D09AA06 | DERMATOLOGICALS MEDICATED DRESSINGS MEDICATED DRESSINGS Medicated dressings with antiinfectives |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000891 | Anti-Infective Agents, Local |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D054872 | Fatty Acid Synthesis Inhibitors |
| MeSH PA | D000960 | Hypolipidemic Agents |
| CHEBI has role | CHEBI:24127 | fungicides |
| CHEBI has role | CHEBI:33282 | bactericides |
| CHEBI has role | CHEBI:35703 | Xenobiotic |
| CHEBI has role | CHEBI:38068 | antimalarials |
| CHEBI has role | CHEBI:50683 | dihydrofolic acid reductase inhibitors |
| CHEBI has role | CHEBI:77853 | persistent organic pollutants |
| CHEBI has role | CHEBI:88188 | allergenic drug |
| CHEBI has role | CHEBI:139512 | NADH-specific enoyl-ACP reductase inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Conduction disorder of the heart | contraindication | 44808001 | |
| Decreased respiratory function | contraindication | 80954004 | |
| Open wound | contraindication | 125643001 | |
| Seizure disorder | contraindication | 128613002 | |
| Denuded skin | contraindication | 418242004 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.67 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Carbonyl reductase [NADPH] 1 | Enzyme | Ki | 7.22 | CHEMBL | |||||
| 78 kDa glucose-regulated protein | Unclassified | IC50 | 4 | CHEMBL | |||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | Enzyme | INHIBITOR | IC50 | 6.37 | CHEMBL | CHEMBL | |||
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Enzyme | IC50 | 7.15 | CHEMBL | |||||
| Enoyl-acyl-carrier protein reductase | Enzyme | Ki | 10.28 | CHEMBL | |||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | Enzyme | IC50 | 6.30 | CHEMBL | |||||
| Enoyl-acyl carrier reductase; Enoyl-acyl carrier reductase ENR | Enzyme | IC50 | 7.82 | CHEMBL | |||||
| Enoyl-ACP reductase | Enzyme | IC50 | 6.70 | CHEMBL | |||||
| Enoyl-[acyl-carrier-protein] reductase [NADPH] | Enzyme | IC50 | 7.23 | CHEMBL | |||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] | Enzyme | IC50 | 5.89 | CHEMBL | |||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] | Enzyme | Ki | 6.70 | CHEMBL | |||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] | Enzyme | Ki | 6.70 | CHEMBL |
| ID | Source |
|---|---|
| 4020553 | VUID |
| N0000148259 | NUI |
| D06226 | KEGG_DRUG |
| 4020553 | VANDF |
| C0040958 | UMLSCUI |
| CHEBI:164200 | CHEBI |
| TCL | PDB_CHEM_ID |
| CHEMBL849 | ChEMBL_ID |
| DB08604 | DRUGBANK_ID |
| D014260 | MESH_DESCRIPTOR_UI |
| 5564 | PUBCHEM_CID |
| 2988 | INN_ID |
| 4NM5039Y5X | UNII |
| 10795 | RXNORM |
| 5622 | MMSL |
| 003179 | NDDF |
| 125577003 | SNOMEDCT_US |
| 387054001 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Antibacterial Hand | HUMAN OTC DRUG LABEL | 1 | 0363-0243 | LIQUID | 0.15 kg | TOPICAL | OTC monograph final | 12 sections |
| STUDIO 35SPRING MORNING | HUMAN OTC DRUG LABEL | 1 | 0363-3701 | LIQUID | 1.50 mg | TOPICAL | OTC monograph not final | 11 sections |
| Medicated Soft N Sure Healthcare Personnel Handwash | HUMAN OTC DRUG LABEL | 1 | 0519-1229 | LIQUID | 0.50 g | TOPICAL | OTC MONOGRAPH NOT FINAL | 12 sections |
| Kindest Kare Antimicrobial Foaming Handwash Healthcare Personnel Handwash | HUMAN OTC DRUG LABEL | 1 | 0519-1452 | LIQUID | 0.75 g | TOPICAL | OTC MONOGRAPH NOT FINAL | 12 sections |
| CV Medicated | HUMAN OTC DRUG LABEL | 1 | 0519-6262 | SOAP | 0.50 g | TOPICAL | OTC monograph not final | 12 sections |
| Moist SURE | HUMAN OTC DRUG LABEL | 1 | 0699-5720 | LIQUID | 7.50 mg | TOPICAL | OTC MONOGRAPH FINAL | 20 sections |
| Moist SURE | HUMAN OTC DRUG LABEL | 1 | 0699-5725 | LIQUID | 5 mg | TOPICAL | OTC MONOGRAPH FINAL | 20 sections |
| Moist SURE | HUMAN OTC DRUG LABEL | 1 | 0699-5726 | LIQUID | 5 mg | TOPICAL | OTC MONOGRAPH FINAL | 20 sections |
| Moist SURE | HUMAN OTC DRUG LABEL | 1 | 0699-5727 | LIQUID | 5 mg | TOPICAL | OTC MONOGRAPH FINAL | 20 sections |
| ClearskinPore Penetrating Cleanser | HUMAN OTC DRUG LABEL | 1 | 10096-0199 | GEL | 0.50 mL | TOPICAL | OTC monograph not final | 18 sections |
| Naturals Cucumber and MelonAnti Bacterial Hand | HUMAN OTC DRUG LABEL | 1 | 10096-0208 | LIQUID | 2 mg | TOPICAL | OTC monograph not final | 11 sections |
| Naturals Pomegranate and MangoAnti-Bacterial Hand | HUMAN OTC DRUG LABEL | 1 | 10096-0209 | LIQUID | 2 mg | TOPICAL | OTC monograph not final | 11 sections |
| NaturalsAntibacterial Liquid Soap Vanilla | HUMAN OTC DRUG LABEL | 1 | 10096-0212 | LIQUID | 0.50 mL | TOPICAL | OTC monograph not final | 20 sections |
| Astound Antibacterial | HUMAN OTC DRUG LABEL | 1 | 11084-020 | LIQUID | 0.30 mL | TOPICAL | OTC monograph not final | 9 sections |
| AntiBac Foam Wash | HUMAN OTC DRUG LABEL | 1 | 11084-053 | LIQUID | 0.30 mL | TOPICAL | OTC monograph not final | 18 sections |
| DebMed Antimicrobial Body Wash and Shampoo | HUMAN OTC DRUG LABEL | 1 | 11084-061 | LIQUID | 0.70 mL | TOPICAL | OTC monograph not final | 8 sections |
| SBS UltraGreen | HUMAN OTC DRUG LABEL | 1 | 11084-075 | GEL | 0.15 mL | TOPICAL | OTC monograph not final | 16 sections |
| Deb Gold | HUMAN OTC DRUG LABEL | 1 | 11084-076 | LIQUID | 0.15 mL | TOPICAL | OTC monograph not final | 16 sections |
| SBS UltraPink | HUMAN OTC DRUG LABEL | 1 | 11084-077 | GEL | 0.15 mL | TOPICAL | OTC monograph not final | 16 sections |
| Appeal Antibacterial Hand Wash | HUMAN OTC DRUG LABEL | 1 | 11084-105 | LIQUID | 0.30 mL | TOPICAL | OTC monograph not final | 9 sections |
| Panache Antibacterial Body Wash | HUMAN OTC DRUG LABEL | 1 | 11084-115 | LIQUID | 0.55 mL | TOPICAL | OTC monograph not final | 8 sections |
| Deb Med Antibacterial Foam Hand Wash | HUMAN OTC DRUG LABEL | 1 | 11084-116 | LIQUID | 0.30 mL | TOPICAL | OTC monograph not final | 9 sections |
| Stoko Refresh 4in1 Food Handler Foam | HUMAN OTC DRUG LABEL | 1 | 11084-967 | LIQUID | 0.50 g | TOPICAL | OTC monograph not final | 9 sections |
| Antibacterial Liquid Hand | HUMAN OTC DRUG LABEL | 1 | 11344-541 | LIQUID | 0.12 kg | TOPICAL | OTC monograph not final | 11 sections |
| Foaming Hand Wash | HUMAN OTC DRUG LABEL | 1 | 11673-001 | LIQUID | 0.46 mg | TOPICAL | OTC monograph not final | 11 sections |
| Antibacterial Body WashMoisturizing | HUMAN OTC DRUG LABEL | 1 | 11673-801 | SOAP | 0.15 mL | TOPICAL | OTC monograph not final | 11 sections |
| Foaming Hand Wash | HUMAN OTC DRUG LABEL | 1 | 11673-808 | LIQUID | 0.46 mg | TOPICAL | OTC monograph not final | 11 sections |
| Fresh Citrus | HUMAN OTC DRUG LABEL | 1 | 11673-954 | SOAP | 0.12 kg | TOPICAL | OTC monograph not final | 11 sections |
| Foaming Hand Wash | HUMAN OTC DRUG LABEL | 1 | 11673-962 | LIQUID | 0.46 mg | TOPICAL | OTC monograph not final | 11 sections |
| RITE AID RENEWALPEAR | HUMAN OTC DRUG LABEL | 1 | 11822-1120 | LIQUID | 4.60 mg | TOPICAL | OTC monograph not final | 11 sections |