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

General Information of Drug (ID: DMIFCMW)

• Drug Name: K-777 Drug Info
• Synonyms: K-777; UNII-320A4L58IZ; APC-3316; CRA-3316; K777; CHEMBL91704; 320A4L58IZ; K-11777; 4-methyl-N-((S)-1-oxo-3-phenyl-1-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide hydrochloride; APC 3316; K 777; K 11777; 233277-99-1; BDBM50229129; 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl)amino)-1-(phenylmethyl)ethyl)-; 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)

Indication

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

• Cross-matching ID:
  PubChem CID: 9851116
  CAS Number: CAS 233277-99-1
  TTD Drug ID: DMIFCMW

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]
WRR-99	DM8ZA6K	Discovery agent	N.A.	Investigative	[5]
Benzoyl-Arginine-Alanine-Methyl Ketone	DMC7TNF	Discovery agent	N.A.	Investigative	[5]
Vinylsulphones	DMNFVO7	Infection of P. falciparum	1F40	Investigative	[6]
WRR-112	DMP761U	Discovery agent	N.A.	Investigative	[5]
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 Cysteine protease (CYP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
MELARSOPROL	DMGUZ0W	Trypanosomiasis	1D51-1F53	Approved	[8]
N-methyl-Pip-F-homoF-vinyl sulfonyl phenyl (N-methyl-Pip-F-hF-VS phi)	DMDAN0K	Discovery agent	N.A.	Investigative	[9]
S-hexyl hexane-1-sulfinothioate	DMODS9A	Discovery agent	N.A.	Investigative	[10]
S-benzyl phenylmethanesulfinothioate	DMDUC2X	Discovery agent	N.A.	Investigative	[10]
S-isopentyl 3-methylbutane-1-sulfinothioate	DM1NXFL	Discovery agent	N.A.	Investigative	[10]
S-propyl propane-1-sulfinothioate	DMFTLY9	Discovery agent	N.A.	Investigative	[10]
ALLICIN	DMSOJ6H	Discovery agent	N.A.	Investigative	[10]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cysteine protease (CYP)	TT2SUAQ	NOUNIPROTAC	Inhibitor	[1]
Trypanosoma Cruzipain (Trypano CYSP)	TTEAID7	CYSP_TRYCR	Inhibitor	[1]

References

• [1] 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.
• [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] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [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] On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide s... J Med Chem. 2009 Sep 24;52(18):5662-72.
• [9] A cysteine protease inhibitor cures Chagas' disease in an immunodeficient-mouse model of infection. Antimicrob Agents Chemother. 2007 Nov;51(11):3932-9.
• [10] Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5541-3.