Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMVPUQI)

• Drug Name: Hydroflumethiazide
• Synonyms: Bristab; Bristurin; Dihydroflumethazide; Dihydroflumethiazide; Diucardin; Diuredemina; Diurometon; Elodrin; Elodrine; Enjit; Finuret; Flutizide; Glomerulin; HFZ; Hidroalogen; Hidroflumetiazid; Hidroflumetiazida; Hydol; Hydrenox; Hydroflumethazide; Hydroflumethiazidum; Hydroflumethizide; Idroflumetiazide; Leodrine; Metflorylthiazidine; Metforylthiadiazin; Metforylthiazidin; Methforylthiazidine; NaClex; Olmagran; Rivosil; Robezon; Rodiuran; Rontyl; Saluron; Sisuril; Spandiuril; Trifluoromethylhydrazide; Trifluoromethylhydrothiazide; Vergonil; Component of Salutensin; Idroflumetiazide [DCIT]; SB01887; Di-ademil; Di-adenil; Hidroflumetiazida [INN-Spanish]; Hydroflumethiazidum [INN-Latin]; Naciex (glaxo); Saluron (TN); Hydroflumethiazide [INN:BAN:JAN]; Hydroflumethiazide (JAN/USP/INN); Ethyl-2H-1,2, 4-benzothiadiazine-7-sulfonamide 1,1-dioxide; Fluoromethyl-3, 4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide; 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1; 2H-1,2, 4-Benzothiadiazine-7-sulfonamide, 3, 4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide; 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide; 3, 4-Dihydro-6-trifluorom; 3, 4-Dihydro-6-trifluoromethyl-7-sulfamoylbenzo-1,2,4-thiadiazine 1, 1-dioxide; 3,4-Dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; 3,4-Dihydro-6-trifluoromethyl-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; 3,4-Dihydro-6-trifluoromethyl-7-sulfamoylbenzo-1,2,4-thiadiazine 1,1-dioxide; 3,4-Dihydro-7-sulfamoyl-6-trifluoromethyl-2H-1,2, 4-benzothi; 3,4-Dihydro-7-sulfamoyl-6-trifluoromethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; 3,4-Dihydro-7-sulfamyl-6-trifluoromethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; 6-(Trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; 6-Trifluoromethyl-3, 4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; 6-Trifluoromethyl-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide; 6-Trifluoromethyl-7-sulfamoyl-3,4-dihydro-1,2, 4-benzothiadiazine-1,1-dioxide; 6-Trifluoromethyl-7-sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide; 6-Trifluoromethyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide; 7-Sulfamoyl-6-tri; 7-Sulfamoyl-6-trifluoromethyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide; 7-Sulfamyl-6-trifluoromethyl-3,4-dihydro-1,2,4-benzothiadiazine 1, 1-dioxide; 7-Sulfamyl-6-trifluoromethyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
• Therapeutic Class: Diuretics
• Drug Type: Small molecular drug

Basic Physicochemical Property

EndPoint; Value; Percentile; Histogram; Molecular Weight (MW); 331.3; 48.05%; Number of Atoms (nAtom); 20; 36.28%; Number of Heteroatoms (nHet); 12; 92.3%; Number of Rings (nRing); 2; 40.13%; Number of Rotatable Bonds (nRot); 1; 16.93%; Number of Hydrogen Bond Acceptors (HBA); 5; 67.49%; Number of Hydrogen Bond Donors (HBD); 3; 86.25%; Topological Polar Surface Area (TPSA); 118.36; 83.04%; n-Octanol/Water Partition Coefficient (SlogP); 0.01; 13.52%

ADMET Endpoint Atlas of This Drug

ADMET Endpoint Overview

Download Endpoint Information

ADMET Regression Property

ADMET Type	Classification	Endpoint	Value	Percentile	Histogram	Info
Absorption	Oral Bioavailability	Caco-2	NA	NA		ⓘ
Absorption	Lipophilicity & Solubility	Hydration Free Energy	NA	NA		ⓘ
Absorption	Lipophilicity & Solubility	Lipophilicity	NA	NA		ⓘ
Absorption	Lipophilicity & Solubility	Solubility	-2.97	40.73%		ⓘ
Distribution	Protein Binding	PPB	NA	NA		ⓘ
Distribution	Tissue Distribution	VDss	0.34	65.84%		ⓘ
Distribution	Tissue Distribution	PPBR	NA	NA		ⓘ
Excretion	Clearance & Half-life	T1/2	5.2	49.5%		ⓘ
Excretion	Clearance & Half-life	MRT	3.8	47.35%		ⓘ
Excretion	Clearance & Half-life	logCL(ml/min/k)	NA	NA		ⓘ
Excretion	Clearance & Half-life	Clearance	NA	NA		ⓘ
Toxicity	Acute & Repeated Dose	Acute oral toxicity	228.36	21.06%		ⓘ
Toxicity	Acute & Repeated Dose	FDAMDD	2	55.97%		ⓘ
Toxicity	Carcinogenicity	Mouse carcinogenicity	NA	NA		ⓘ
Toxicity	Carcinogenicity	Rat carcinogenicity	NA	NA		ⓘ
Toxicity	Ecotoxicity	T. pyriformis toxicity	NA	NA		ⓘ
Toxicity	Ecotoxicity	BCF	NA	NA		ⓘ
Toxicity	Organ Toxicity	Neurotoxicity	NA	NA		ⓘ

ADMET Classification Property

ADMET Type	Classification	Endpoint	Value	Sign	Proportion	Info
Absorption	Oral Bioavailability	Bioavailability	1	●	77.47%	ⓘ
Absorption	Oral Bioavailability	F50%	NA	●	NA	ⓘ
Absorption	Oral Bioavailability	F30%	NA	●	NA	ⓘ
Absorption	Oral Bioavailability	F20%	NA	●	NA	ⓘ
Absorption	Permeability	HIA	1	●	88.93%	ⓘ
Absorption	Permeability	PAMPA	1	●	62.23%	ⓘ
Absorption	Permeability	MDCK	NA	●	NA	ⓘ
Distribution	Tissue Distribution	BBB	0	●	30.27%	ⓘ
Metabolism	CYP450 Enzymes	CYP3A4 inhibitor	0	●	82.45%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9 inhibitor	0	●	81.65%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C19 inhibitor	0	●	78.08%	ⓘ
Metabolism	CYP450 Enzymes	CYP2D6 inhibitor	0	●	70.02%	ⓘ
Metabolism	CYP450 Enzymes	CYP2D6 substrate	0	●	66.54%	ⓘ
Metabolism	CYP450 Enzymes	CYP1A2 inhibitor	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP2B6 inhibitor	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP1A2 substrate	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP3A4 substrate	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP2B6 substrate	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9 substrate	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP2C19 substrate	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9i inhibitor	NA	●	NA	ⓘ
Metabolism	Hepatic Stability	HLM	NA	●	NA	ⓘ
Metabolism	Hepatic Stability	RLM	NA	●	NA	ⓘ
Metabolism	Hepatic Stability	UGT substrate	NA	●	NA	ⓘ
Excretion	Clearance & Half-life	CLp	1	●	93.54%	ⓘ
Excretion	Clearance & Half-life	CLr	1	●	56.62%	ⓘ
Excretion	Transporters	OATP1B1 inhibitor	1	●	90.71%	ⓘ
Excretion	Transporters	OATP1B3 inhibitor	1	●	93.59%	ⓘ
Excretion	Transporters	OCT1 inhibitor	0	●	72.23%	ⓘ
Excretion	Transporters	BCRP inhibitor	0	●	53.69%	ⓘ
Excretion	Transporters	MATE1 inhibitor	0	●	90.91%	ⓘ
Excretion	Transporters	OATP2B1 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OCT2 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	BSEP inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	P-gp inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	P-gp substrate	NA	●	NA	ⓘ
Toxicity	Acute & Repeated Dose	Repeated dose toxicity	NA	●	NA	ⓘ
Toxicity	Carcinogenicity	Rodents carcinogenicity	NA	●	NA	ⓘ
Toxicity	Cardiotoxicity	hERG(1μM)	NA	●	NA	ⓘ
Toxicity	Cardiotoxicity	hERG(10μM)	NA	●	NA	ⓘ
Toxicity	Cardiotoxicity	hERG(30μM)	NA	●	NA	ⓘ
Toxicity	Cardiotoxicity	hERG(<1μM >10μM)	NA	●	NA	ⓘ
Toxicity	Cardiotoxicity	hERG(<10μM >30μM)	NA	●	NA	ⓘ
Toxicity	Cellular Toxicity	Mitochondrial toxicity	0	●	76.99%	ⓘ
Toxicity	Cellular Toxicity	MMP	0	●	83.73%	ⓘ
Toxicity	Cellular Toxicity	Hemolytic toxicity	NA	●	NA	ⓘ
Toxicity	Cellular Toxicity	Lysosomal toxicity (Phospholipidosis)	NA	●	NA	ⓘ
Toxicity	Cytotoxicity	RPMI_8226 Immunitoxicity	NA	●	NA	ⓘ
Toxicity	Cytotoxicity	HEK293	NA	●	NA	ⓘ
Toxicity	Cytotoxicity	NIH3T3	NA	●	NA	ⓘ
Toxicity	Cytotoxicity	CRL-7250	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Honey bee toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Avian toxicity (Colinus virginanus)	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Avian toxicity (Anas platyrhynchos)	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	P. subcapitata toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Crustaceans toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	D. magna toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Fish toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Fathead minnow toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Bluegill sunfish toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Rainbow trout toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Sheepshead minnow toxicity	NA	●	NA	ⓘ
Toxicity	Ecotoxicity	Biodegradability	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	AR	0	●	88.77%	ⓘ
Toxicity	Endocrine Disruption	ER	0	●	91.58%	ⓘ
Toxicity	Endocrine Disruption	AR-LBD	0	●	87.76%	ⓘ
Toxicity	Endocrine Disruption	ER-LBD	0	●	87.41%	ⓘ
Toxicity	Endocrine Disruption	Aromatase	0	●	85.82%	ⓘ
Toxicity	Endocrine Disruption	AhR	0	●	90.08%	ⓘ
Toxicity	Endocrine Disruption	ARE	0	●	80.89%	ⓘ
Toxicity	Endocrine Disruption	ATAD5	0	●	94.42%	ⓘ
Toxicity	Endocrine Disruption	HSE	0	●	94.78%	ⓘ
Toxicity	Endocrine Disruption	p53	0	●	91.23%	ⓘ
Toxicity	Endocrine Disruption	PPAR-γ	0	●	90.88%	ⓘ
Toxicity	Endocrine Disruption	TR	0	●	90.89%	ⓘ
Toxicity	Endocrine Disruption	GR	0	●	89.37%	ⓘ
Toxicity	Genotoxicity	Ames mutagenesis	NA	●	NA	ⓘ
Toxicity	Genotoxicity	Micronucleus	NA	●	NA	ⓘ
Toxicity	Organ Toxicity	DILI	0	●	44.52%	ⓘ
Toxicity	Organ Toxicity	Nephrotoxicity	0	●	72.91%	ⓘ
Toxicity	Organ Toxicity	Respiratory toxicity	NA	●	NA	ⓘ
Toxicity	Organ Toxicity	Ototoxicity	NA	●	NA	ⓘ
Toxicity	Photoinduced Toxicity	Photoinduced toxicity	1	●	44.75%	ⓘ
Toxicity	Photoinduced Toxicity	Photoallergy	1	●	41.65%	ⓘ
Toxicity	Photoinduced Toxicity	Phototoxicity	NA	●	NA	ⓘ
Toxicity	Reproductive Toxicity	Reproductive toxicity	NA	●	NA	ⓘ
Toxicity	Skin & Eye Toxicity	Eye corrosion	0	●	93.33%	ⓘ
Toxicity	Skin & Eye Toxicity	Eye irritation	0	●	72.82%	ⓘ
Toxicity	Skin & Eye Toxicity	Skin corrosion	NA	●	NA	ⓘ
Toxicity	Skin & Eye Toxicity	Skin irritation	NA	●	NA	ⓘ
Toxicity	Skin & Eye Toxicity	Skin sensitisation	NA	●	NA	ⓘ
Toxicity	Skin & Eye Toxicity	Acute dermal toxicity	NA	●	NA	ⓘ
Toxicity	Skin & Eye Toxicity	HaCaT dermatotoxicity	NA	●	NA	ⓘ