Details of the Drug

General Information of Drug (ID: DMQRKH4)

• Drug Name: JTH-601
• Synonyms: JTH-601-G-1

Indication

Disease Entry	ICD 11	Status	REF
Prostate disease	GA91	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 633.7
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 6
  Hydrogen Bond Acceptor Count; 13
• Chemical Identifiers:
  Formula: C32H43NO12
  IUPAC Name: (E)-but-2-enedioic acid;3-[[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-methylamino]methyl]-4-methoxy-2,5,6-trimethylphenol
  Canonical SMILES: CC1=CC(=C(C=C1O)C(C)C)OCCN(CC2=C(C(=C(C(=C2C)O)C)C)OC)C.C(=C/C(=O)O)\\C(=O)O.C(=C/C(=O)O)\\C(=O)O
  InChI: InChI=1S/C24H35NO4.2C4H4O4/c1-14(2)19-12-21(26)15(3)11-22(19)29-10-9-25(7)13-20-18(6)23(27)16(4)17(5)24(20)28-8;2*5-3(6)1-2-4(7)8/h11-12,14,26-27H,9-10,13H2,1-8H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
  InChIKey: SZSMNSNVWDKMMN-LVEZLNDCSA-N
• Cross-matching ID:
  PubChem CID: 119026061
  CAS Number: 171277-07-9
  TTD ID: D06WOJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Antagonist	[2]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Prostate disease
• ICD Disease Classification: GA91

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010685)
• [2] Effect of JTH-601, a novel alpha(1)-adrenoceptor antagonist, on prostate function in dogs. Eur J Pharmacol. 2000 Apr 7;394(1):123-30.