Details of the Drug

General Information of Drug (ID: DMLHOA0)

• Drug Name: Xatral
• Synonyms: Alfetim; Alfoten; Urion; Uroxatral; Alfuzosin HCl; Alfuzosin Hydrochloride; Alfuzosin hydrochloride [USAN]; Xatral OD; Xatral Retard; Xatral SR; Xatral XL; SL 77 499-10; SL 77499-10; SL-7749910; Uroxatral, Alfuzosin hydrochloride; Alfuzosin hydrochloride (JAN/USAN); SL-77499-10; SL-77.0499-10; N-[3-[4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furancarboxamide hydrochloride; N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride; N-{3-[(4-amino-6,7-dimethoxychinazolin-2-yl)(methyl)amino]propyl}tetrahydrofuran-2-carboxamidhydrochlorid; (+-)-N-(3-((4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino)propyl)tetrahydro-2-furamide monohydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Benign prostatic hyperplasia	GA90	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 425.9
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 8
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: C19H28ClN5O4
  IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
  Canonical SMILES: CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl
  InChI: InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H
  InChIKey: YTNKWDJILNVLGX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71764
  ChEBI ID: CHEBI:32286
  CAS Number: 81403-68-1
  TTD ID: D0H1YQ
  INTEDE ID: DR0063

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Antagonist	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Benign prostatic hyperplasia
• ICD Disease Classification: GA90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	6.06E-01	-2.42E-02	-1.64E-01

References

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• [2] Pharma & Vaccines. Product Development Pipeline. April 29 2009.
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• [14] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [15] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
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