pyrithione 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
3508 15922-78-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • pyrithione
  • N-Hydroxypyridine-2-thione
  • omadine
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
  • Molecular weight: 127.16
  • Formula: C5H5NOS
  • CLOGP: -0.59
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 0
  • TPSA: 26.94
  • ALOGS: -1.63
  • ROTB: 0

  • Status: OFM

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

None

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:

SourceCodeDescription
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000935 Antifungal Agents
CHEBI has role CHEBI:24869 ionophores

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
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 levelDissociation constantType (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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA 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
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:

IDSource
C0072735 UMLSCUI
CHEBI:36578 CHEBI
CHEMBL1356238 ChEMBL_ID
CHEMBL1650619 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

Pharmaceutical products:

None