Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMOSW35)

• Drug Name: Felodipine
• Synonyms: Agon; Felobeta; Felocor; Feloday; Felodipina; Felodipinum; Felodur; Felogamma; Felogard; Fensel; Flodil; Hydac; Lexxel; Logimax; Modip; Munobal; Penedil; Perfudal; Plandil; Plendil; Preslow; Prevex; Renedil; Splendil; AGON SR; AbZ Brand of Felodipine; Aliud Brand of Felodipine; Alphapharm Brand of Felodipine; Alpharma Brand of Felodipine; Astra Brand of Felodipine; AstraZeneca Brand of Felodipine; Aventis Brand of Felodipine; Azupharma Brand of Felodipine; BC Brand of Felodipine; Betapharm Brand of Felodipine; Ct Arzneimittel Brand of Felodipine; Felo Biochemie; Felo Puren; Felodipin AL; Felodipin AZU; Felodipin AbZ; Felodipin Heumann; Felodipin Stada; Felodipin dura; Felodipin ratiopharm; Felodipin von ct; FelodurER; Heumann Brand of Felodipine; Hexal Brand of Felodipine; Hoechst Brand of Felodipine; Merck dura Brand of Felodipine; Munobal Retard; Pharmaceutica Astra Brand of Felodipine; Pharmacia Spain Brandof Felodipine; Plendil Depottab; Plendil ER; Plendil Retard; Promed Brand of Felodipine; Ratiopharm Brand of Felodipine; Stadapharm Brand of Felodipine; TheraPharm Brand of Felodipine; Worwag Brand of Felodipine; F 9677; Felodipin 1A Pharma; H 154 82; H 15482; CGH-869; Ct-Arzneimittel Brand of Felodipine; Dl-Felodipine; Felo-Puren; Felodipin-ratiopharm; Felodipina [INN-Spanish]; Felodipinum [INN-Latin]; H 154-82; H 154/82; Heumann, Felodipin; Plendil (TN); AE-641/11429675; Felodipine [USAN:BAN:INN]; Felodipine [USAN:INN:BAN]; H-154/82; Felodipine (JAN/USP/INN); Plendil, Renedil, Feloday, Felodipine; Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (+-)-Ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate; (+/-)-ethylmethyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate; 1A Brand of Felodipine; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2,3-dichlorophenyl)-2,6-dimethyl-, ethyl methylester; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2,3-dichlorophenyl)-2,6-dimethyl-,ethyl methyl ester; 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, ethyl methyl ester; 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate; 3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinecarboxylic acid ethyl methyl ester; 4-(2,3-dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester; 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid ethyl methyl ester; 5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Therapeutic Class: Antihypertensive Agents
• Drug Type: Small molecular drug

Basic Physicochemical Property

EndPoint; Value; Percentile; Histogram; Molecular Weight (MW); 384.26; 62.71%; Number of Atoms (nAtom); 25; 56.71%; Number of Heteroatoms (nHet); 7; 66.21%; Number of Rings (nRing); 2; 40.13%; Number of Rotatable Bonds (nRot); 4; 53.86%; Number of Hydrogen Bond Acceptors (HBA); 5; 67.49%; Number of Hydrogen Bond Donors (HBD); 1; 47.86%; Topological Polar Surface Area (TPSA); 64.63; 43.11%; n-Octanol/Water Partition Coefficient (SlogP); 3.96; 73.24%

ADMET Endpoint Atlas of This Drug

ADMET Endpoint Overview

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ADMET Regression Property

ADMET Type	Classification	Endpoint	Value	Percentile	Histogram	Info
Absorption	Oral Bioavailability	Caco-2	-4.64	66.25%		ⓘ
Absorption	Lipophilicity & Solubility	Hydration Free Energy	NA	NA		ⓘ
Absorption	Lipophilicity & Solubility	Lipophilicity	NA	NA		ⓘ
Absorption	Lipophilicity & Solubility	Solubility	-5.68	5.1%		ⓘ
Distribution	Protein Binding	PPB	1	94.98%		ⓘ
Distribution	Tissue Distribution	VDss	0.64	78.88%		ⓘ
Distribution	Tissue Distribution	PPBR	NA	NA		ⓘ
Excretion	Clearance & Half-life	T1/2	10	66.6%		ⓘ
Excretion	Clearance & Half-life	MRT	6.7	61.81%		ⓘ
Excretion	Clearance & Half-life	logCL(ml/min/k)	1.04	74.77%		ⓘ
Excretion	Clearance & Half-life	Clearance	NA	NA		ⓘ
Toxicity	Acute & Repeated Dose	Acute oral toxicity	NA	NA		ⓘ
Toxicity	Acute & Repeated Dose	FDAMDD	3.06	81.24%		ⓘ
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	F50%	0	●	41.21%	ⓘ
Absorption	Oral Bioavailability	F30%	0	●	28.91%	ⓘ
Absorption	Oral Bioavailability	F20%	0	●	21.36%	ⓘ
Absorption	Oral Bioavailability	Bioavailability	0	●	22.53%	ⓘ
Absorption	Permeability	HIA	NA	●	NA	ⓘ
Absorption	Permeability	MDCK	NA	●	NA	ⓘ
Absorption	Permeability	PAMPA	NA	●	NA	ⓘ
Distribution	Tissue Distribution	BBB	0	●	30.27%	ⓘ
Metabolism	CYP450 Enzymes	CYP3A4 inhibitor	1	●	17.55%	ⓘ
Metabolism	CYP450 Enzymes	CYP2B6 inhibitor	1	●	36.61%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9 inhibitor	1	●	18.35%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C19 inhibitor	1	●	21.92%	ⓘ
Metabolism	CYP450 Enzymes	CYP2D6 inhibitor	0	●	70.02%	ⓘ
Metabolism	CYP450 Enzymes	CYP3A4 substrate	1	●	55.7%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9 substrate	0	●	67.07%	ⓘ
Metabolism	CYP450 Enzymes	CYP2D6 substrate	0	●	66.54%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9i inhibitor	1	●	19.57%	ⓘ
Metabolism	CYP450 Enzymes	CYP1A2 inhibitor	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP1A2 substrate	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP2B6 substrate	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP2C19 substrate	NA	●	NA	ⓘ
Metabolism	Hepatic Stability	UGT substrate	0	●	59.48%	ⓘ
Metabolism	Hepatic Stability	HLM	NA	●	NA	ⓘ
Metabolism	Hepatic Stability	RLM	NA	●	NA	ⓘ
Excretion	Clearance & Half-life	CLp	1	●	93.54%	ⓘ
Excretion	Clearance & Half-life	CLr	0	●	43.38%	ⓘ
Excretion	Transporters	OCT1 inhibitor	0	●	72.23%	ⓘ
Excretion	Transporters	P-gp inhibitor	0	●	67.51%	ⓘ
Excretion	Transporters	OATP1B1 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OATP1B3 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OATP2B1 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OCT2 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	BCRP inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	BSEP inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	MATE1 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	1	●	23.01%	ⓘ
Toxicity	Cellular Toxicity	Lysosomal toxicity (Phospholipidosis)	0	●	76.92%	ⓘ
Toxicity	Cellular Toxicity	Hemolytic toxicity	NA	●	NA	ⓘ
Toxicity	Cellular Toxicity	MMP	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-LBD	0	●	87.41%	ⓘ
Toxicity	Endocrine Disruption	ARE	1	●	19.11%	ⓘ
Toxicity	Endocrine Disruption	ATAD5	0	●	94.42%	ⓘ
Toxicity	Endocrine Disruption	PPAR-γ	0	●	90.88%	ⓘ
Toxicity	Endocrine Disruption	ER	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	AR-LBD	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	Aromatase	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	AhR	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	HSE	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	p53	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	TR	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	GR	NA	●	NA	ⓘ
Toxicity	Genotoxicity	Ames mutagenesis	NA	●	NA	ⓘ
Toxicity	Genotoxicity	Micronucleus	NA	●	NA	ⓘ
Toxicity	Organ Toxicity	DILI	1	●	55.48%	ⓘ
Toxicity	Organ Toxicity	Respiratory toxicity	1	●	89.23%	ⓘ
Toxicity	Organ Toxicity	Nephrotoxicity	0	●	72.91%	ⓘ
Toxicity	Organ Toxicity	Ototoxicity	NA	●	NA	ⓘ
Toxicity	Photoinduced Toxicity	Photoinduced toxicity	NA	●	NA	ⓘ
Toxicity	Photoinduced Toxicity	Phototoxicity	NA	●	NA	ⓘ
Toxicity	Photoinduced Toxicity	Photoallergy	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	ⓘ