Details of the Drug

General Information of Drug (ID: DMNP60F)

• Drug Name: Anastrozole
• Synonyms: Anastrazole; Anastrole; Anastrozol; Arimidex; Asiolex; Astra brand of anastrozole; AstraZeneca brand of anastrozole; Zeneca brand of anastrozole; ZD 1033; ZD1033; Zeneca ZD 1033; Arimidex (TN); Arimidex (Zeneca); Arimidex, Anastrozole; ZD-1033; Anastrozole [USAN:INN:BAN]; Anastrozole (JAN/USAN/INN); Alpha,alpha,alpha',alpha'-tetramethyl-5(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile; Alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile; 1,3-benzenediacetonitrile, a, a,a', a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl); 2,2'-(5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene)bis(2-methylpropionitrile); 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile); 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile); 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Approved	[1], [2]

• Therapeutic Class: Anticancer Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 293.4
  Topological Polar Surface Area (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• ADMET Property:
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 5 h [3]
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [4]
  Bioavailability: 80% of drug becomes completely available to its intended biological destination(s) [5]
  Elimination: Hepatic metabolism accounts for approximately 85% of anastrozole elimination, and approximately 10% of the administered dosage is eliminated unchanged in the urine [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 50 hours [3]
  Metabolism: The drug is metabolized via the liver [6]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.05692 micromolar/kg/day [7]
  Vd: The volume of distribution (Vd) of drug is 3.19 L/kg [8]
  Water Solubility: The ability of drug to dissolve in water is measured as 0.5 mg/mL [4]
• Chemical Identifiers:
  Formula: C17H19N5
  IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
  Canonical SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
  InChI: InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
  InChIKey: YBBLVLTVTVSKRW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2187
  ChEBI ID: CHEBI:2704
  CAS Number: 120511-73-1
  DrugBank ID: DB01217
  TTD ID: D0W0BF
  VARIDT ID: DR00464
  INTEDE ID: DR0113
  ACDINA ID: D00039

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[9], [10]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Putative sodium-coupled neutral amino acid transporter 7 (SLC38A7)	DT2EGUN	S38A7_HUMAN	Substrate	[11]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[12]
UDP-glucuronosyltransferase 1A1 (UGT1A1)	DEYGVN4	UD11_HUMAN	Substrate	[12]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[12]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[12]
UDP-glucuronosyltransferase 2B7 (UGT2B7)	DEB3CV1	UD2B7_HUMAN	Substrate	[12]
UDP-glucuronosyltransferase 1A3 (UGT1A3)	DEF2WXN	UD13_HUMAN	Substrate	[12]
UDP-glucuronosyltransferase 1A4 (UGT1A4) Main DME	DELOY3P	UD14_HUMAN	Substrate	[]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Anastrozole

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Tucatinib	DMBESUA	Moderate	Decreased metabolism of Anastrozole caused by Tucatinib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[69]

Coadministration of a Drug Treating the Disease Different from Anastrozole (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Fostamatinib	DM6AUHV	Moderate	Decreased metabolism of Anastrozole caused by Fostamatinib mediated inhibition of CYP450 enzyme.	Thrombocytopenia [3B64]	[70]

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

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Beta-D-lactose	E00099	6134	Diluent; Dry powder inhaler carrier; Lyophilization aid
Carmellose sodium	E00625	Not Available	Disintegrant
Hypromellose	E00634	Not Available	Coating agent
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Polyethylene glycol 300	E00651	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyethylene glycol 400	E00653	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyethylene glycol 6000	E00655	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polysorbate 80	E00665	Not Available	Dispersing agent; Emollient; Emulsifying agent; Plasticizing agent; Solubilizing agent; Surfactant; Suspending agent
Povidone	E00667	Not Available	Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Triacetin	E00080	5541	Humectant; Plasticizing agent; Solvent
Vinylpyrrolidone	E00668	Not Available	Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Anastrozole 1 mg tablet	1 mg	Oral Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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