Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMP761U)

• Drug Name: WRR-112 Drug Info
• Synonyms: WRR-112; N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE; AC1NRD12; DB03691; (3S)-3-hydroxy-4-({(2S)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid; (3S)-3-hydroxy-3-{[(1S)-1-[(3-methylbutyl)carbamoyl]-3-phenylpropyl]carbamoyl}propanoic acid; (3S)-3-hydroxy-4-[[(2S)-1-(3-methylbutylamino)-1-oxo-4-phenylbutan-2-yl]amino]-4-oxobutanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 5289294
  TTD Drug ID: DMP761U

Molecule-Related Drug Atlas

Drug(s) Targeting Trypanosoma Cruzipain (Trypano CYSP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
TRICLABENDAZOLE	DMPWGBR	Helminth infection	1F90.0	Approved	[2]
MANIDIPINE	DMJPGUA	N. A.	N. A.	Phase 3	[2]
L-755507	DMPWBNU	N. A.	N. A.	Terminated	[3]
GNF-PF-4478	DMCDU8K	Discovery agent	N.A.	Investigative	[4]
K-777	DMIFCMW	Discovery agent	N.A.	Investigative	[5]
WRR-99	DM8ZA6K	Discovery agent	N.A.	Investigative	[1]
Benzoyl-Arginine-Alanine-Methyl Ketone	DMC7TNF	Discovery agent	N.A.	Investigative	[1]
Vinylsulphones	DMNFVO7	Infection of P. falciparum	1F40	Investigative	[6]
1-(3-Methoxy-benzyl)-5-methyl-1H-indole-2,3-dione	DM30M9H	Discovery agent	N.A.	Investigative	[7]
3-amino-5-(furan-2-yl)biphenyl-2,4-dicarbonitrile	DM6Y2KW	Discovery agent	N.A.	Investigative	[3]

Drug(s) Targeting Cathepsin F (CTSF)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID27998201-Compound-12	DM8QZNC	Bone cancer	2B5Z	Patented	[8]
PMID27998201-Compound-5	DMVZ0ND	Chronic obstructive pulmonary disease	CA22	Patented	[8]
PMID22686657C(R)-26	DM19D7G	Discovery agent	N.A.	Investigative	[9]
WRR-99	DM8ZA6K	Discovery agent	N.A.	Investigative	[1]
Benzoyl-Arginine-Alanine-Methyl Ketone	DMC7TNF	Discovery agent	N.A.	Investigative	[1]
HOMOPHENYLALANINYLMETHANE	DMVBTHA	Discovery agent	N.A.	Investigative	[10]
BENZOYL-TYROSINE-ALANINE-METHYL KETONE	DMIRD8S	Discovery agent	N.A.	Investigative	[10]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin F (CTSF)	TTJOKD1	CATF_HUMAN	Inhibitor	[1]
Trypanosoma Cruzipain (Trypano CYSP)	TTEAID7	CYSP_TRYCR	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Colloid formation by drugs in simulated intestinal fluid. J Med Chem. 2010 May 27;53(10):4259-65.
• [3] Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem. 2010 Jan 14;53(1):37-51.
• [4] Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem. 2010 Jul 8;53(13):4891-905.
• [5] Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6218-21.
• [6] Opportunities and challenges in antiparasitic drug discovery. Nat Rev Drug Discov. 2005 Sep;4(9):727-40.
• [7] Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain. Bioorg Med Chem Lett. 2003 Oct 20;13(20):3527-30.
• [8] Cathepsin B and L inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2017 Jun;27(6):643-656.
• [9] Selective nitrile inhibitors to modulate the proteolytic synergism of cathepsins S and F. J Med Chem. 2012 Jun 28;55(12):5982-6.
• [10] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.