Details of the Drug

General Information of Drug (ID: DM8KSQH)

Drug Name

Phenoxybenzamine

Synonyms

Bensylyt; Bensylyte; Benzylyt; Dibenylene; Dibenylin; Dibenyline; Dibenziran; Dibenzylene; Dibenzylin; Dibenzyran; Fenossibenzamina; Fenoxibenzamina; Phenoxybenzaminum; Bensylyt NEN; Fenossibenzamina [DCIT]; POB HCl; Phenoxybenzamine Hcl; A 688; Dibenzyline (TN); Fenoxibenzamina [INN-Spanish]; Phenoxybenzamine (INN);Phenoxybenzamine [INN:BAN]; Phenoxybenzaminum [INN-Latin]; N-Phenoxyisopropyl-N-benzyl-beta-chloroethylamine; Benzyl(2-chloroethyl)-(1-methyl-2-phenoxyethyl)amine; N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine; N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine; N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine; N-(2-chloroethyl)-N-(phenylmethyl)-1-(phenyloxy)propan-2-amine; 2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane; 688A

Indication

Disease Entry	ICD 11	Status	REF
Malignant essential hypertension	BA00	Approved	[1]

Therapeutic Class

Antihypertensive Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

303.8

Topological Polar Surface Area (xlogp)

4.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Bioavailability: The bioavailability of drug is 20-30% [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 24 hours [4]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 2.821 micromolar/kg/day [5]

Chemical Identifiers

Formula: C18H22ClNO
IUPAC Name: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine
Canonical SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
InChI: InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKey: QZVCTJOXCFMACW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4768
ChEBI ID: CHEBI:8077
CAS Number: 59-96-1
DrugBank ID: DB00925
TTD ID: D0X2DK
VARIDT ID: DR00696
ACDINA ID: D00526

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Antagonist	[6]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic cation transporter 1 (SLC22A1)	DTT79CX	S22A1_HUMAN	Substrate	[7]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Malignant essential hypertension

ICD Disease Classification

BA00

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49
Organic cation transporter 1 (SLC22A1)	DTP	SLC22A1	8.54E-01	1.24E-02	7.20E-02

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Phenoxybenzamine

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Nadolol	DMW6GVL	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Nadolol.	Essential hypertension [BA00]	[27]
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Coadministration of a Drug Treating the Disease Different from Phenoxybenzamine (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Cariprazine	DMJYDVK	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Cariprazine.	Bipolar disorder [6A60]	[28]
Selegiline	DM6034S	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Selegiline.	Depression [6A70-6A7Z]	[29]
Isocarboxazid	DMAF1NB	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Isocarboxazid.	Depression [6A70-6A7Z]	[29]
OPC-34712	DMHG57U	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and OPC-34712.	Depression [6A70-6A7Z]	[28]
Metipranolol	DMJMVKI	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Metipranolol.	Glaucoma [9C61]	[27]
Levobetaxolol	DMSREPX	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Levobetaxolol.	Glaucoma [9C61]	[27]
Carvedilol	DMHTEAO	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Carvedilol.	Heart failure [BD10-BD1Z]	[27]
Procarbazine	DMIK367	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Procarbazine.	Hodgkin lymphoma [2B30]	[29]
Acebutolol	DM0TI4U	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Acebutolol.	Hypertension [BA00-BA04]	[27]
Captopril	DM458UM	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Captopril.	Hypertension [BA00-BA04]	[30]
Penbutolol	DM4ES8F	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Penbutolol.	Hypertension [BA00-BA04]	[27]
Nebivolol	DM7F1PA	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Nebivolol.	Hypertension [BA00-BA04]	[27]
Pindolol	DMD2NV7	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Pindolol.	Hypertension [BA00-BA04]	[27]
ITI-007	DMUQ1DO	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and ITI-007.	Insomnia [7A00-7A0Z]	[28]
Ozanimod	DMT6AM2	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Ozanimod.	Multiple sclerosis [8A40]	[29]
Promethazine	DM6I5GR	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Promethazine.	Nausea/vomiting [MD90]	[28]
Rasagiline	DM3WKQ4	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Rasagiline.	Parkinsonism [8A00]	[29]
Silodosin	DMJSBT6	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Silodosin.	Prostate hyperplasia [GA90]	[31]
Levomepromazine	DMIKFEL	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Levomepromazine.	Psychotic disorder [6A20-6A25]	[28]
Quetiapine	DM1N62C	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Quetiapine.	Schizophrenia [6A20]	[28]
Mesoridazine	DM2ZGAN	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Mesoridazine.	Schizophrenia [6A20]	[28]
Aripiprazole	DM3NUMH	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Aripiprazole.	Schizophrenia [6A20]	[28]
Iloperidone	DM6AUFY	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Iloperidone.	Schizophrenia [6A20]	[28]
Paliperidone	DM7NPJS	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Paliperidone.	Schizophrenia [6A20]	[28]
Molindone	DMAH70G	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Molindone.	Schizophrenia [6A20]	[28]
Thiothixene	DMDINC4	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Thiothixene.	Schizophrenia [6A20]	[28]
Amisulpride	DMSJVAM	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Amisulpride.	Schizophrenia [6A20]	[28]
Asenapine	DMSQZE2	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Asenapine.	Schizophrenia [6A20]	[28]
Trimeprazine	DMEMV9D	Moderate	Additive hypotensive effects by the combination of Phenoxybenzamine and Trimeprazine.	Vasomotor/allergic rhinitis [CA08]	[32]
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⏷ Show the Full List of 29 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Allura red AC dye	E00338	33258	Colorant
D&C red no. 33	E00261	19116	Colorant
Isopropyl alcohol	E00070	3776	Antimicrobial preservative; Solvent
Sodium lauryl sulfate	E00464	3423265	Emulsifying agent; Modified-release agent; Penetration agent; Solubilizing agent; Surfactant; lubricant
Sunset yellow FCF	E00255	17730	Colorant
Ammonia	E00007	222	Alkalizing agent
Beta-D-lactose	E00099	6134	Diluent; Dry powder inhaler carrier; Lyophilization aid
Butyl alcohol	E00011	263	Flavoring agent; Solvent
Ethanol	E00023	702	Antimicrobial preservative; Penetration agent; Solvent
FD&C red no. 3	E00629	Not Available	Colorant
Ferric hydroxide oxide yellow	E00539	23320441	Colorant
Ferrosoferric oxide	E00231	14789	Colorant
Gelatin	E00630	Not Available	Other agent
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Potassium hydroxide	E00233	14797	Alkalizing agent
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Water	E00035	962	Solvent
Shellac	E00695	Not Available	Coating agent; Film/membrane-forming agent; Microencapsulating agent; Modified-release agent
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⏷ Show the Full List of 21 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Phenoxybenzamine 10 mg capsule	10 mg	Oral Capsule	Oral
Phenoxybenzamine Hydrochloride 10mg/capsule capsule	10mg/capsule	Capsule	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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