bitoscanate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
3033 4044-65-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • bitoscanate
  • 1,4-Diisothiocyanatobenzene
  • bitoscanat
  • p-Phenylene bisisothiocyanate
anthelmintic; minor descriptor (75-83); on-line & Index Medicus search THIOCYANATES (75-83); structure
  • Molecular weight: 192.25
  • Formula: C8H4N2S2
  • CLOGP: 4.77
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 0
  • TPSA: 24.72
  • ALOGS: -4.24
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class AAK1,ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK2,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GRK3,GSK3A,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K1,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PIM3,PLK1,PLK2,PLK3,PLK4,PRKAA1,PRKAA2,PRKCD,PRKCZ,PRKDC,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 97
kinase-selectivity-class AXL,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,GRK2,HIPK2,JAK2,MAP2K3,MAP2K6,MAP3K14,MAP3K2,MAP3K7,MAPK12,MAPK7,PDK4,PIK3CB,PIM3,PRKDC,STK33,TEK,TTK,UHMK1 25
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:

None

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

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C0053818 UMLSCUI
CHEBI:134845 CHEBI
CHEMBL2104676 ChEMBL_ID
19958 PUBCHEM_CID
C032582 MESH_SUPPLEMENTAL_RECORD_UI
C550085 MESH_SUPPLEMENTAL_RECORD_UI
2397 INN_ID
6D1R3P86GX UNII

Pharmaceutical products:

None