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

Stem definitionDrug idCAS RN
4601 520-34-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • diosmetine
  • diosmetin
a 5,7-dihydroxyflavone
  • Molecular weight: 300.27
  • Formula: C16H12O6
  • CLOGP: 2.75
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 3
  • TPSA: 96.22
  • ALOGS: -3.60
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.076 Moderate 0.68
caco2-efflux Caco-2 efflux ratio (BA/AB) 9.397 Moderate 0.68
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 16.069 10^-6 cm/s Moderate 0.68
dh-clint Dog hepatocyte intrinsic clearance 113.240 uL/min/10^6 cells Moderate 0.68
dppb Dog plasma protein binding (% unbound) 1.020 % Moderate 0.68
fcs-ppb Fetal calf serum protein binding (% unbound) 0.700 % Moderate 0.68
herg hERG pIC50 4.418 pIC50 Moderate 0.68
hh-clint Human hepatocyte intrinsic clearance 583.445 uL/min/10^6 cells Moderate 0.68
hlm-clint Human liver microsomal intrinsic clearance 42.073 uL/min/mg protein Moderate 0.68
hppb Human plasma protein binding (% unbound) 0.440 % Moderate 0.68
kinase-safety-class ACVR1B,ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK16,CDK19,CDK2,CDK3,CDK4,CDK5,CDK7,CDK9,CHEK1,CLK4,CSF1R,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3A,GSK3B,IKBKB,IRAK1,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAP4K5,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PRKAA1,PRKAA2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TNIK,TTK,UHMK1,ULK1,ULK2,ZAP70 94
kinase-selectivity-class AAK1,ACVR2A,ACVR2B,ALK,AURKA,AURKB,AURKC,AXL,BLK,BMX,BRAF,CAMK2B,CAMK2D,CDK1,CDK16,CDK2,CDK4,CDK9,CHEK1,CLK4,DDR1,DYRK1B,DYRK3,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT3,FLT4,GRK2,GSK3A,GSK3B,HIPK2,IRAK1,IRAK3,JAK1,JAK2,KDR,KIT,MAP2K3,MAP2K6,MAP3K10,MAP3K11,MAP3K14,MAP3K21,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPK8,MARK1,MARK2,MARK4,MELK,MINK1,MTOR,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM3,PRKAA1,PRKDC,SGK1,SIK2,SIK3,STK10,STK17A,STK33,SYK,TEK,TGFBR1,TNIK,TTK,TYRO3,ULK1,ULK2,ZAP70 79
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 36.141 Moderate 0.68
mh-clint Mouse hepatocyte intrinsic clearance 375.837 Moderate 0.68
mppb Mouse plasma protein binding (% unbound) 1.040 Moderate 0.68
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 5.521 Moderate 0.68
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 2.280 % Moderate 0.68
rh-clint Rat hepatocyte intrinsic clearance 297.167 uL/min/10^6 cells Moderate 0.68
rh-fuinc Rat hepatocyte fraction unbound in incubation 42.910 % Moderate 0.68
rppb Rat plasma protein binding (% unbound) 0.590 % Moderate 0.68
solubility-dd Solubility at pH 7.4 in DMSO 5.358 uM Moderate 0.68

Approvals:

DateAgencyCompanyOrphan
None FDA

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 antioxidant
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:35620 vasodilator agent
CHEBI has role CHEBI:48422 angiogenesis inhibitor
CHEBI has role CHEBI:50646 bone density conservation agent
CHEBI has role CHEBI:67079 anti-inflammatory agent
CHEBI has role CHEBI:68495 apoptosis inducer
CHEBI has role CHEBI:76924 plant metabolite
CHEBI has role CHEBI:77307 cardioprotective agent
CHEBI has role CHEBI:140489 tropomyosin-related kinase B receptor agonist

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 5.68 acidic
pKa2 9.12 acidic
pKa3 10.43 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
Multidrug resistance-associated protein 1 Transporter IC50 5.52 CHEMBL
Xanthine dehydrogenase/oxidase Enzyme IC50 6.28 CHEMBL
Histone deacetylase 6 Enzyme IC50 6.28 CHEMBL
Cytochrome P450 1B1 Enzyme IC50 7.54 CHEMBL
Lysine-specific histone demethylase 1A Enzyme IC50 4.55 CHEMBL
Cytochrome P450 1A1 Enzyme INHIBITOR Ki 7.05 IUPHAR
Inositol polyphosphate multikinase Kinase IC50 5.14 CHEMBL
Inositol hexakisphosphate kinase 2 Kinase IC50 6.05 CHEMBL

External reference:

IDSource
CHEBI:4630 CHEBI
J8D PDB_CHEM_ID
CHEMBL90568 ChEMBL_ID
C039602 MESH_SUPPLEMENTAL_RECORD_UI
13861 IUPHAR_LIGAND_ID
DB11259 DRUGBANK_ID
TWZ37241OT UNII
1314347 RXNORM
C0114217 UMLSCUI
5281612 PUBCHEM_CID
TWZ37241OT INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
GONGJINHYANG SEOL WHITENING HUMAN OTC DRUG LABEL 1 53208-372 CREAM 0.10 g TOPICAL OTC monograph not final 6 sections
ISA KNOX WXII PLUS WHITENING REVOLUTION SERUM HUMAN OTC DRUG LABEL 1 53208-424 CREAM 0.11 mL TOPICAL OTC monograph not final 5 sections
Whoo Gongjinhyang Seol Whitening Jin Essence HUMAN OTC DRUG LABEL 1 53208-427 CREAM 0.06 mL TOPICAL unapproved drug other 6 sections
ISAKNOX X202 WHITENING SECRET ESSENCE HUMAN OTC DRUG LABEL 1 53208-531 CREAM 0.06 mL TOPICAL unapproved drug other 9 sections