Details of the Drug

General Information of Drug (ID: DM6P8HU)

• Drug Name: Dutasteride + tamsulosin
• Synonyms: Jalyn; Dutasteride / tamsulosin; Tamsulosin / Dutasteride; Dutasteride mixture with tamsulosin

Indication

Disease Entry	ICD 11	Status	REF
Benign prostatic hyperplasia	GA90	Phase 3	[1]
Prostate cancer	2C82.0	Phase 3	[1]

• Drug Type: Combination drug (small molecular drug)
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 937
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 13
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 15
• Chemical Identifiers:
  Formula: C47H58F6N4O7S
  IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
  Canonical SMILES: CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
  InChI: InChI=1S/C27H30F6N2O2.C20H28N2O5S/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33;1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36);5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-,16-,17-,19+,21+,24-,25+;15-/m01/s1
  InChIKey: SHHCJPKACHSWFP-NMXGMQNUSA-N
• Cross-matching ID:
  PubChem CID: 11679580
  TTD ID: D09JFY

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]
Oxo-5-alpha-steroid 4-dehydrogenase (SRD5A)	TT2A0DR	S5A1_HUMAN; S5A2_HUMAN; PORED_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 02 Neoplasm
• Disease Class: ICD-11: 2C82 Prostate cancer
• The Studied Tissue: Prostate
• The Studied Disease: Prostate cancer [ICD-11:2C82]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	2.24E-04	0.45	0.83

References

• [1] ClinicalTrials.gov (NCT00090103) Benign Prostatic Hyperplasia Trial With Dutasteride And Tamsulosin Combination Treatment. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [3] The role of 5-alpha reductase inhibitors in prostate pathophysiology: Is there an additional advantage to inhibition of type 1 isoenzyme Can Urol Assoc J. 2009 Jun;3(3 Suppl 2):S109-14.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
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