pyrithione 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

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000935 Antifungal Agents

Drug Use (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

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 14 Enzyme Ki 5.54 CHEMBL
Carbonic anhydrase 4 Enzyme Ki 5.21 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 5.11 CHEMBL
Carbonic anhydrase 5A, mitochondrial Enzyme Ki 5.29 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 5.76 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 5.27 CHEMBL
Carbonic anhydrase 6 Enzyme Ki 5.62 CHEMBL
Carbonic anhydrase 13 Enzyme Ki 5.38 CHEMBL
Carbonic anhydrase 5B, mitochondrial Enzyme Ki 5.45 CHEMBL
Carbonic anhydrase 3 Enzyme Ki 5.79 CHEMBL
FAD-linked sulfhydryl oxidase ALR Enzyme AC50 6.36 CHEMBL

External reference:

IDSource
C0072735 UMLSCUI
6GK82EC25D UNII
1121-31-9 SECONDARY_CAS_RN
35100 RXNORM
005592 NDDF
1570 PUBCHEM_CID
CHEBI:36578 CHEBI
DB06815 DRUGBANK_ID
CHEMBL1356238 ChEMBL_ID
CHEMBL1650619 ChEMBL_ID
C008704 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None