Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMNHTZI)

• Drug Name: Protriptyline
• Synonyms: Amimetilina; Impril; Maximed; Novopramine; Protriptilina; Protriptylinum; Protryptyline; Rhotrimine; Triptil; Triptyl; Vivactil; Vivactyl; Triptil hydrochloride; Normethyl EX4442; Triadapin 5; Apo-Imipramine; Apo-Trimip; Novo-Doxepin; Novo-Tripramine; Protriptilina [INN-Spanish]; Protriptyline (INN); Protriptyline [INN:BAN]; Protriptylinum [INN-Latin]; Vivactil (TN); N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propanamine; N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propylamine; N-Methyl-5H-dibenzo(a,d)cycloheptene-5-propylamine; N-3-(5H-Dibenzo(a,d)cyclohepten-5-yl)propyl-N-methylamine; 3-(5H-Dibenzo[a,d]cyclohepten-5-yl)-N-methyl-1-propanamine; 3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-amine; 5-(3-Methylaminopropyl)-5H-Dibenzo[a,d]cycloheptene; 5-(3-Methylaminopropyl)-5H-dibenzo(a,d)cycloheptene; 5H-Dibenzo[a, d]cycloheptene-5-propanamine, N-methyl-, hydrochloride; 7-(3-Methylaminopropyl)-1,2:5,6-dibenzocycloheptatriene
• Therapeutic Class: Antidepressants
• Drug Type: Small molecular drug

Basic Physicochemical Property

EndPoint; Value; Percentile; Histogram; Molecular Weight (MW); 263.38; 28.49%; Number of Atoms (nAtom); 20; 36.28%; Number of Heteroatoms (nHet); 1; 2.84%; Number of Rings (nRing); 3; 64.07%; Number of Rotatable Bonds (nRot); 4; 53.86%; Number of Hydrogen Bond Acceptors (HBA); 1; 6.91%; Number of Hydrogen Bond Donors (HBD); 1; 47.86%; Topological Polar Surface Area (TPSA); 12.03; 2.7%; n-Octanol/Water Partition Coefficient (SlogP); 4.3; 78.58%

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	NA	NA		ⓘ
Absorption	Lipophilicity & Solubility	Hydration Free Energy	NA	NA		ⓘ
Absorption	Lipophilicity & Solubility	Lipophilicity	NA	NA		ⓘ
Absorption	Lipophilicity & Solubility	Solubility	NA	NA		ⓘ
Distribution	Protein Binding	PPB	0.92	54.51%		ⓘ
Distribution	Tissue Distribution	VDss	NA	NA		ⓘ
Distribution	Tissue Distribution	PPBR	NA	NA		ⓘ
Excretion	Clearance & Half-life	T1/2	73.24	96.55%		ⓘ
Excretion	Clearance & Half-life	MRT	NA	NA		ⓘ
Excretion	Clearance & Half-life	logCL(ml/min/k)	NA	NA		ⓘ
Excretion	Clearance & Half-life	Clearance	NA	NA		ⓘ
Toxicity	Acute & Repeated Dose	Acute oral toxicity	240.01	21.44%		ⓘ
Toxicity	Acute & Repeated Dose	FDAMDD	2.42	67.59%		ⓘ
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%	1	●	58.79%	ⓘ
Absorption	Oral Bioavailability	F30%	1	●	71.09%	ⓘ
Absorption	Oral Bioavailability	F20%	1	●	78.64%	ⓘ
Absorption	Oral Bioavailability	Bioavailability	1	●	77.47%	ⓘ
Absorption	Permeability	HIA	1	●	88.93%	ⓘ
Absorption	Permeability	MDCK	NA	●	NA	ⓘ
Absorption	Permeability	PAMPA	NA	●	NA	ⓘ
Distribution	Tissue Distribution	BBB	1	●	69.73%	ⓘ
Metabolism	CYP450 Enzymes	CYP1A2 inhibitor	0	●	60.67%	ⓘ
Metabolism	CYP450 Enzymes	CYP3A4 inhibitor	1	●	17.55%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9 inhibitor	0	●	81.65%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C19 inhibitor	0	●	78.08%	ⓘ
Metabolism	CYP450 Enzymes	CYP2D6 inhibitor	1	●	29.98%	ⓘ
Metabolism	CYP450 Enzymes	CYP2D6 substrate	1	●	33.46%	ⓘ
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	NA	●	NA	ⓘ
Excretion	Transporters	BCRP inhibitor	0	●	53.69%	ⓘ
Excretion	Transporters	P-gp inhibitor	1	●	32.49%	ⓘ
Excretion	Transporters	P-gp substrate	1	●	45.86%	ⓘ
Excretion	Transporters	OATP1B1 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OATP1B3 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OATP2B1 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OCT1 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OCT2 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	BSEP inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	MATE1 inhibitor	NA	●	NA	ⓘ
Toxicity	Acute & Repeated Dose	Repeated dose toxicity	NA	●	NA	ⓘ
Toxicity	Carcinogenicity	Rodents carcinogenicity	NA	●	NA	ⓘ
Toxicity	Cardiotoxicity	hERG(1μM)	0	●	78.82%	ⓘ
Toxicity	Cardiotoxicity	hERG(10μM)	1	●	56.18%	ⓘ
Toxicity	Cardiotoxicity	hERG(30μM)	1	●	74.41%	ⓘ
Toxicity	Cardiotoxicity	hERG(<10μM >30μM)	1	●	68.71%	ⓘ
Toxicity	Cardiotoxicity	hERG(<1μM >10μM)	NA	●	NA	ⓘ
Toxicity	Cellular Toxicity	Mitochondrial toxicity	0	●	76.99%	ⓘ
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	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	GR	0	●	89.37%	ⓘ
Toxicity	Endocrine Disruption	TR	NA	●	NA	ⓘ
Toxicity	Genotoxicity	Ames mutagenesis	NA	●	NA	ⓘ
Toxicity	Genotoxicity	Micronucleus	NA	●	NA	ⓘ
Toxicity	Organ Toxicity	DILI	0	●	44.52%	ⓘ
Toxicity	Organ Toxicity	Ototoxicity	1	●	62.27%	ⓘ
Toxicity	Organ Toxicity	Respiratory toxicity	NA	●	NA	ⓘ
Toxicity	Organ Toxicity	Nephrotoxicity	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	ⓘ