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
  Logarithm of the Partition Coefficient; 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
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD 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]
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).