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
  Logarithm of the Partition Coefficient; 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: CHEMBL1723
  CAS Number: 81403-68-1
  TTD ID: D0H1YQ
  INTEDE ID: DR0063
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Pharma & Vaccines. Product Development Pipeline. April 29 2009.
• [3] Extended-release alfuzosin hydrochloride: a new alpha-adrenergic receptor antagonist for symptomatic benign prostatic hyperplasia. Am J Geriatr Pharmacother. 2004 Mar;2(1):14-23.