Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMA4MRX)

• Drug Name: Perphenazine
• Synonyms: Chlorperphenazine; Chlorpiprazine; Decentan; Emesinal; Etaperazin; Etaperazine; Ethaperazine; Fentazin;PZC; Perfenazina; Perfenazine; Perphenan; Perphenazin; Perphenazinum; Thilatazin; Tranquisan; Trifaron; Trilafon; Trilifan; Triphenot; Perfenazina [Italian]; Perphenazine [Trilafon]; Perphenazine maleate; P 6402; Sch 3940; Apo-Perphenazine; F-mon; Perfenazina [INN-Spanish]; Perphenazinum [INN-Latin]; SCH-3940; Siquil (TN); Triavil (TN); Perphenazine [INN:BAN:JAN]; Perphenazine (JP15/USP/INN); Gamma-[4-(beta-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine; Gamma-(4-(beta-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine; 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina; 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina [Italian]; 1-(2-Hydroxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine; 1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine; 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-, trihydrochloride; 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol; 2-Chloro-10-(3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine; 2-Chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine; 2-Chloro-10-3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl phenothiazine; 2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl]propyl phenothiazine; 2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine; 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;2-{4-[3-(2-Chloro-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethanol; 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol; 4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol; 4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol; 4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol
• Therapeutic Class: Antipsychotic Agents
• Drug Type: Small molecular drug

Basic Physicochemical Property

EndPoint; Value; Percentile; Histogram; Molecular Weight (MW); 403.98; 67.95%; Number of Atoms (nAtom); 27; 64.45%; Number of Heteroatoms (nHet); 6; 55.87%; Number of Rings (nRing); 4; 85.01%; Number of Rotatable Bonds (nRot); 6; 73.62%; Number of Hydrogen Bond Acceptors (HBA); 5; 67.49%; Number of Hydrogen Bond Donors (HBD); 1; 47.86%; Topological Polar Surface Area (TPSA); 29.95; 11.58%; n-Octanol/Water Partition Coefficient (SlogP); 3.94; 72.72%

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	3.6	91.71%		ⓘ
Absorption	Lipophilicity & Solubility	Solubility	-4.15	21.79%		ⓘ
Distribution	Protein Binding	PPB	0.93	54.8%		ⓘ
Distribution	Tissue Distribution	VDss	1.26	92.8%		ⓘ
Distribution	Tissue Distribution	PPBR	98.51	70.34%		ⓘ
Excretion	Clearance & Half-life	T1/2	9.4	64.47%		ⓘ
Excretion	Clearance & Half-life	MRT	11	74.17%		ⓘ
Excretion	Clearance & Half-life	logCL(ml/min/k)	1.43	93.83%		ⓘ
Excretion	Clearance & Half-life	Clearance	NA	NA		ⓘ
Toxicity	Acute & Repeated Dose	Acute oral toxicity	NA	NA		ⓘ
Toxicity	Acute & Repeated Dose	FDAMDD	3	80.28%		ⓘ
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%	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	PAMPA	1	●	62.23%	ⓘ
Absorption	Permeability	MDCK	NA	●	NA	ⓘ
Distribution	Tissue Distribution	BBB	1	●	69.73%	ⓘ
Metabolism	CYP450 Enzymes	CYP1A2 inhibitor	1	●	39.33%	ⓘ
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	1	●	29.98%	ⓘ
Metabolism	CYP450 Enzymes	CYP1A2 substrate	1	●	64%	ⓘ
Metabolism	CYP450 Enzymes	CYP3A4 substrate	1	●	55.7%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9 substrate	1	●	32.93%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C19 substrate	1	●	61.97%	ⓘ
Metabolism	CYP450 Enzymes	CYP2D6 substrate	1	●	33.46%	ⓘ
Metabolism	CYP450 Enzymes	CYP2C9i inhibitor	0	●	80.43%	ⓘ
Metabolism	CYP450 Enzymes	CYP2B6 inhibitor	NA	●	NA	ⓘ
Metabolism	CYP450 Enzymes	CYP2B6 substrate	NA	●	NA	ⓘ
Metabolism	Hepatic Stability	RLM	1	●	47.86%	ⓘ
Metabolism	Hepatic Stability	UGT substrate	0	●	59.48%	ⓘ
Metabolism	Hepatic Stability	HLM	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	1	●	27.77%	ⓘ
Excretion	Transporters	BCRP inhibitor	1	●	46.31%	ⓘ
Excretion	Transporters	MATE1 inhibitor	0	●	90.91%	ⓘ
Excretion	Transporters	P-gp inhibitor	1	●	32.49%	ⓘ
Excretion	Transporters	P-gp substrate	1	●	45.86%	ⓘ
Excretion	Transporters	OATP2B1 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	OCT2 inhibitor	NA	●	NA	ⓘ
Excretion	Transporters	BSEP inhibitor	NA	●	NA	ⓘ
Toxicity	Acute & Repeated Dose	Repeated dose toxicity	NA	●	NA	ⓘ
Toxicity	Carcinogenicity	Rodents carcinogenicity	NA	●	NA	ⓘ
Toxicity	Cardiotoxicity	hERG(1μM)	1	●	21.18%	ⓘ
Toxicity	Cardiotoxicity	hERG(10μM)	1	●	56.18%	ⓘ
Toxicity	Cardiotoxicity	hERG(30μM)	1	●	74.41%	ⓘ
Toxicity	Cardiotoxicity	hERG(<1μM >10μM)	1	●	32.58%	ⓘ
Toxicity	Cardiotoxicity	hERG(<10μM >30μM)	1	●	68.71%	ⓘ
Toxicity	Cellular Toxicity	Mitochondrial toxicity	0	●	76.99%	ⓘ
Toxicity	Cellular Toxicity	Lysosomal toxicity (Phospholipidosis)	1	●	23.08%	ⓘ
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	ER-LBD	0	●	87.41%	ⓘ
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	AR-LBD	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	Aromatase	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	AhR	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	ARE	NA	●	NA	ⓘ
Toxicity	Endocrine Disruption	TR	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	Ototoxicity	1	●	62.27%	ⓘ
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	ⓘ