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

Stem definitionDrug idCAS RN
3143 752-61-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • digitalin
  • diginorgin
  • glucostrospeside
  • Molecular weight: 712.83
  • Formula: C36H56O14
  • CLOGP: 1.51
  • LIPINSKI: 3
  • HAC: 14
  • HDO: 7
  • TPSA: 214.06
  • ALOGS: -3.19
  • ROTB: 7

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2B,CAMK2D,CDK5,EIF2AK3,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,NTRK2,PDK1,PDK2,PDK4,PRKDC,TEK 15
kinase-selectivity-class MAP2K6 1
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

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.65 acidic
pKa2 13.84 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C0058012 UMLSCUI
CHEBI:28143 CHEBI
CHEMBL505674 ChEMBL_ID
C034791 MESH_SUPPLEMENTAL_RECORD_UI
Q15ECE254B UNII
441856 PUBCHEM_CID
1923401 RXNORM
006651 NDDF

Pharmaceutical products:

None