All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

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

Stem definition	Drug id	CAS RN
	1362	520-33-2

Description:

Molecule	Description
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:

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

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	2.293		Moderate	0.70
caco2-efflux	Caco-2 efflux ratio (BA/AB)	7.311		Moderate	0.70
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	25.823	10^-6 cm/s	Moderate	0.70
dh-clint	Dog hepatocyte intrinsic clearance	27.797	uL/min/10^6 cells	Moderate	0.70
dppb	Dog plasma protein binding (% unbound)	2.660	%	Moderate	0.70
fcs-ppb	Fetal calf serum protein binding (% unbound)	2.490	%	Moderate	0.70
herg	hERG pIC50	4.553	pIC50	Moderate	0.70
hh-clint	Human hepatocyte intrinsic clearance	98.401	uL/min/10^6 cells	Moderate	0.70
hlm-clint	Human liver microsomal intrinsic clearance	10.162	uL/min/mg protein	Moderate	0.70
hppb	Human plasma protein binding (% unbound)	1.460	%	Moderate	0.70
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70	78
kinase-selectivity-class	ACVR2B,AXL,DYRK1B,GRK2,MAP2K6,MAP3K14,MAPK7,PIK3CB,PRKDC,TEK	10
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	19.275		Moderate	0.70
mh-clint	Mouse hepatocyte intrinsic clearance	170.608		Moderate	0.70
mppb	Mouse plasma protein binding (% unbound)	3.400		Moderate	0.70
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	10.715		Moderate	0.70
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	4.440	%	Moderate	0.70
rh-clint	Rat hepatocyte intrinsic clearance	187.932	uL/min/10^6 cells	Moderate	0.70
rh-fuinc	Rat hepatocyte fraction unbound in incubation	62.560	%	Moderate	0.70
rppb	Rat plasma protein binding (% unbound)	1.480	%	Moderate	0.70
solubility-dd	Solubility at pH 7.4 in DMSO	184.077	uM	Moderate	0.70

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:

Source	Code	Description
CHEBI has role	CHEBI:22586	antioxidant
CHEBI has role	CHEBI:35610	antineoplastic agent
CHEBI has role	CHEBI:76924	plant metabolite

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 level	Dissociation constant	Type (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:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Carbonic anhydrase 4	Enzyme	P22748	CAH4_HUMAN		Ki	6.99		CHEMBL
Xanthine dehydrogenase/oxidase	Enzyme	P47989	XDH_HUMAN		IC50	6.08		CHEMBL
Aromatase	Enzyme	P11511	CP19A_HUMAN		Ki	5.40		CHEMBL
Carbonic anhydrase 12	Enzyme	O43570	CAH12_HUMAN		Ki	6.34		CHEMBL
Carbonic anhydrase 7	Enzyme	P43166	CAH7_HUMAN		Ki	8.48		CHEMBL
Dipeptidyl peptidase 4	Enzyme	P27487	DPP4_HUMAN		IC50	6.55		CHEMBL
Histone deacetylase 6	Enzyme	Q9UBN7	HDAC6_HUMAN		IC50	6		CHEMBL
Glycogen synthase kinase-3 beta	Kinase	P49841	GSK3B_HUMAN		IC50	4.57		CHEMBL
Cytochrome P450 1B1	Enzyme	Q16678	CP1B1_HUMAN		IC50	6.29		CHEMBL
Lysine-specific histone demethylase 1A	Enzyme	O60341	KDM1A_HUMAN		IC50	4.10		CHEMBL
Replicase polyprotein 1ab	Enzyme		R1AB_CVHSA		IC50	5.08		CHEMBL

External reference:

ID	Source
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
Q9Q3D557F1	INXIGHT DRUGS

Pharmaceutical products:

None