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

Stem definitionDrug idCAS RN
1362 520-33-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • hesperetin
  • hesperitin
aglycone of HESPERIDIN; structure
  • Molecular weight: 302.28
  • Formula: C16H14O6
  • CLOGP: 2.29
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 3
  • TPSA: 96.22
  • ALOGS: -3.34
  • ROTB: 2

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 20 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

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
CHEBI has role CHEBI:22586 antioxidants
CHEBI has role CHEBI:35610 antineoplastic agents
CHEBI has role CHEBI:76924 plant metabolites

Drug Use (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 7.78 acidic
pKa2 10.13 acidic
pKa3 10.68 acidic

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 6.99 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 6.34 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 8.48 CHEMBL
Dipeptidyl peptidase 4 Enzyme IC50 6.55 CHEMBL
Glycogen synthase kinase-3 beta Kinase IC50 4.57 CHEMBL
Cytochrome P450 1B1 Enzyme IC50 6.29 CHEMBL
Lysine-specific histone demethylase 1A Enzyme IC50 4.10 CHEMBL
Replicase polyprotein 1ab Enzyme IC50 5.08 CHEMBL

External reference:

IDSource
C0062585 UMLSCUI
CHEBI:28230 CHEBI
6JP PDB_CHEM_ID
CHEMBL399121 ChEMBL_ID
DB01094 DRUGBANK_ID
C013015 MESH_SUPPLEMENTAL_RECORD_UI
72281 PUBCHEM_CID
10953 IUPHAR_LIGAND_ID
Q9Q3D557F1 UNII
1314255 RXNORM

Pharmaceutical products:

None