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pyrithione 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3508 | 15922-78-8 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
split from cephalosporin molecule; some metal complexes of this have fumarate reductase inhibitory activity and may be useful against trypanosomes; RN given refers to parent cpd; structure
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 57 | |||
| kinase-selectivity-class | AXL,BRAF,CDK4,CDK9,DYRK1B,ERBB2,GRK2,MAP2K6,MAPK7,MARK4,MET,RIPK1,SIK2,STK33,TEK,TTK | 16 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
Approvals:
None
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 |
|---|---|---|
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000935 | Antifungal Agents |
| CHEBI has role | CHEBI:24869 | ionophore |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Vasomotor rhinitis | indication | 8229003 | DOID:4730 |
| Cough | indication | 49727002 | |
| Seborrheic dermatitis | indication | 50563003 | DOID:8741 |
| Pityriasis versicolor | indication | 56454009 | DOID:9060 |
| Allergic rhinitis | indication | 61582004 | |
| Nasal discharge | indication | 64531003 | |
| Nasal congestion | indication | 68235000 | |
| Common cold | indication | 82272006 | DOID:10459 |
| Pityriasis simplex | indication | 200767005 | |
| Ocular hypertension | contraindication | 4210003 | DOID:9282 |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Infection of skin AND/OR subcutaneous tissue | contraindication | 19824006 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Coronary arteriosclerosis | contraindication | 53741008 | DOID:3393 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Chronic idiopathic constipation | contraindication | 82934008 | |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Condyloma acuminatum | contraindication | 240542006 | DOID:11168 |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Skin irritation | contraindication | 367466007 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Peripheral vascular disease | contraindication | 400047006 | |
| Blister | contraindication | 417237009 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Inflammatory dermatosis | contraindication | 703938007 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.74 | acidic |
| pKa2 | 0.69 | Basic |
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 |
|---|---|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 4 | Enzyme | Ki | 5.21 | CHEMBL | |||||
| Carbonic anhydrase 9 | Enzyme | Ki | 5.76 | CHEMBL | |||||
| Carbonic anhydrase 12 | Enzyme | Ki | 5.27 | CHEMBL | |||||
| Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 5.29 | CHEMBL | |||||
| Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 5.45 | CHEMBL | |||||
| Carbonic anhydrase 7 | Enzyme | Ki | 5.11 | CHEMBL | |||||
| Carbonic anhydrase 3 | Enzyme | Ki | 5.79 | CHEMBL | |||||
| Stromelysin-1 | Enzyme | IC50 | 4.70 | CHEMBL | |||||
| Carbonic anhydrase 6 | Enzyme | Ki | 5.62 | CHEMBL | |||||
| Carbonic anhydrase 14 | Enzyme | Ki | 5.54 | CHEMBL | |||||
| Carbonic anhydrase 13 | Enzyme | Ki | 5.38 | CHEMBL | |||||
| FAD-linked sulfhydryl oxidase ALR | Enzyme | AC50 | 6.36 | CHEMBL | |||||
| Protein-lysine 6-oxidase | Enzyme | IC50 | 4.48 | CHEMBL | |||||
| Lysyl oxidase homolog 3 | Enzyme | IC50 | 4.92 | CHEMBL | |||||
| Lysyl oxidase homolog 4 | Enzyme | IC50 | 4.82 | CHEMBL | |||||
| Lysyl oxidase homolog 2 | Enzyme | IC50 | 4.75 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| C0072735 | UMLSCUI |
| CHEBI:36578 | CHEBI |
| CHEMBL1356238 | ChEMBL_ID |
| 1570 | PUBCHEM_CID |
| DB06815 | DRUGBANK_ID |
| C008704 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6GK82EC25D | UNII |
| 35100 | RXNORM |
| 005592 | NDDF |
| 1121-31-9 | SECONDARY_CAS_RN |
| 6GK82EC25D | INXIGHT DRUGS |
Pharmaceutical products:
None