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benzoic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4664 | 65-85-0 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.365 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.330 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 19.999 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.518 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 16.350 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 41.560 | % | High | 1 |
| herg | hERG pIC50 | 4.241 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.466 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.236 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 18.990 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 54 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKB,AXL,BRAF,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,JAK1,MAP2K6,MAPK7,MAPK8,MARK4,PDK4,PIK3CD,PRKDC,SIK2,STK33,SYK,TEK,TTK | 25 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.679 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 4.198 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 67.780 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.157 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 23.280 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 3.707 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 90.200 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 18.260 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 874.984 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| FDA MoA | N0000175806 | Ammonium Ion Binding Activity |
| FDA EPC | N0000175807 | Nitrogen Binding Agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:64996 | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor |
| CHEBI has role | CHEBI:65001 | EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
| CHEBI has role | CHEBI:65256 | antimicrobial food preservative |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| CHEBI has role | CHEBI:76967 | human xenobiotic metabolite |
| CHEBI has role | CHEBI:84735 | algal metabolite |
| CHEBI has role | CHEBI:88188 | drug allergen |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000935 | Antifungal Agents |
| MeSH PA | D005503 | Food Additives |
| MeSH PA | D005520 | Food Preservatives |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Induratio penis plastica | indication | 1335005 | DOID:8616 |
| Hyperammonemia | indication | 9360008 | |
| Pemphigus | indication | 65172003 | DOID:9182 |
| Systemic sclerosis | indication | 89155008 | DOID:418 |
| Morphea | indication | 201049004 | |
| Dermatomyositis | indication | 396230008 | DOID:10223 |
| Gastritis | contraindication | 4556007 | DOID:4029 |
| Severe chronic ulcerative colitis | contraindication | 14311001 | |
| Disorder of autonomic nervous system | contraindication | 15241006 | |
| Glaucoma | contraindication | 23986001 | DOID:1686 |
| Toxic megacolon | contraindication | 28536002 | DOID:1770 |
| Atony of colon | contraindication | 29479008 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Hypovolemic shock | contraindication | 39419009 | |
| Gastrointestinal ulcer | contraindication | 40845000 | |
| Body fluid retention | contraindication | 43498006 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Achalasia of esophagus | contraindication | 45564002 | DOID:9164 |
| Chronic heart failure | contraindication | 48447003 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Vitamin K deficiency | contraindication | 52675005 | DOID:11249 |
| Nasal polyp | contraindication | 52756005 | |
| Paralytic ileus | contraindication | 55525008 | DOID:8442 |
| Anorexia nervosa | contraindication | 56882008 | DOID:8689 |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Factor II deficiency | contraindication | 73975000 | |
| Gastrointestinal hemorrhage | contraindication | 74474003 | |
| Thrombotic thrombocytopenic purpura | contraindication | 78129009 | DOID:10772 |
| Hiatal hernia | contraindication | 84089009 | DOID:12642 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Thyrotoxicosis | contraindication | 90739004 | DOID:7997 |
| Hemophilia | contraindication | 90935002 | |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
| Liver function tests abnormal | contraindication | 166603001 | |
| Gastroesophageal reflux disease | contraindication | 235595009 | DOID:8534 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Pyloric obstruction | contraindication | 244815007 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Pregnancy, function | contraindication | 289908002 | |
| Cardiovascular event risk | contraindication | 395112001 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Fever greater than 100.4 Fahrenheit | contraindication | 426000000 | |
| Severe dehydration | contraindication | 450316000 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.76 | acidic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | Enzyme | Ki | 5.70 | CHEMBL | |||||
| Nicotinate phosphoribosyltransferase | Enzyme | Ki | 8.72 | CHEMBL | |||||
| Solute carrier family 22 member 20 | Transporter | Ki | 4.86 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D00038 | KEGG_DRUG |
| 4017799 | VUID |
| N0000146160 | NUI |
| 4017799 | VANDF |
| CHEBI:30746 | CHEBI |
| BEZ | PDB_CHEM_ID |
| CHEMBL541 | ChEMBL_ID |
| DB03793 | DRUGBANK_ID |
| 8SKN0B0MIM | UNII |
| 18989 | RXNORM |
| 10005 | MMSL |
| 4257 | MMSL |
| d03058 | MMSL |
| 002878 | NDDF |
| 002906 | NDDF |
| 003193 | NDDF |
| 004936 | NDDF |
| 387350000 | SNOMEDCT_US |
| 63318000 | SNOMEDCT_US |
| C0053225 | UMLSCUI |
| D019817 | MESH_DESCRIPTOR_UI |
| 243 | PUBCHEM_CID |
Pharmaceutical products:
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Hyophen | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0076-0901 | TABLET | 9 mg | ORAL | unapproved drug other | 19 sections |
| URIBEL TABS | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0178-0745 | TABLET, COATED | 9 mg | ORAL | unapproved drug other | 13 sections |
| Anubis Barcelona New Even | HUMAN OTC DRUG LABEL | 16 | 83021-033 | LOTION | 0.63 g | TOPICAL | OTC monograph final | 9 sections |
| Anubis Barcelona Vital Line | HUMAN OTC DRUG LABEL | 22 | 83021-187 | CREAM | 0.24 g | TOPICAL | OTC monograph final | 9 sections |
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 12 | 83021-495 | CONCENTRATE | 0.02 g | TOPICAL | OTC monograph final | 9 sections |
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 18 | 83021-546 | CONCENTRATE | 0.04 g | TOPICAL | OTC monograph final | 9 sections |
| Anubis Barcelona Total Hydrating | HUMAN OTC DRUG LABEL | 10 | 83021-692 | LOTION | 1.75 g | TOPICAL | OTC monograph final | 9 sections |
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 13 | 83021-839 | CONCENTRATE | 0.00 g | TOPICAL | OTC monograph final | 9 sections |
| BENZO DERMA | HUMAN OTC DRUG LABEL | 3 | 84058-130 | CREAM | 6 g | TOPICAL | OTC Monograph Drug | 11 sections |