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

General Information of Drug (ID: DMCDU8K)

• Drug Name: GNF-PF-4478 Drug Info
• Synonyms: GNF-Pf-4478; CHEMBL597857; SMR000042305; AC1LD5U9; MLS000036444; cid_661700; MolPort-002-590-307; HMS2349M09; ZINC20191037; MMV006587; STK552090; BDBM50322743; AKOS005479117; MCULE-5579816479; NCGC00019462-02; NCGC00019462-01; 8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]indol-4-amine; 8-chloro-N-[3-(morpholin-4-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine; 8-chloro-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine

Indication

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

• Cross-matching ID:
  PubChem CID: 661700
  TTD Drug ID: DMCDU8K

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	[3]
MANIDIPINE	DMJPGUA	N. A.	N. A.	Phase 3	[3]
L-755507	DMPWBNU	N. A.	N. A.	Terminated	[4]
K-777	DMIFCMW	Discovery agent	N.A.	Investigative	[5]
WRR-99	DM8ZA6K	Discovery agent	N.A.	Investigative	[6]
Benzoyl-Arginine-Alanine-Methyl Ketone	DMC7TNF	Discovery agent	N.A.	Investigative	[6]
Vinylsulphones	DMNFVO7	Infection of P. falciparum	1F40	Investigative	[7]
WRR-112	DMP761U	Discovery agent	N.A.	Investigative	[6]
1-(3-Methoxy-benzyl)-5-methyl-1H-indole-2,3-dione	DM30M9H	Discovery agent	N.A.	Investigative	[8]
3-amino-5-(furan-2-yl)biphenyl-2,4-dicarbonitrile	DM6Y2KW	Discovery agent	N.A.	Investigative	[4]

Drug(s) Targeting Insulin-degrading enzyme (IDE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Bacitracin	DM5OHYE	Blepharoconjunctivitis		Approved	[9]
PRO-001	DM5ZTE4	Retinitis pigmentosa	9B70	Phase 2	[10]
quinoline 2	DM1QIPZ	Discovery agent	N.A.	Investigative	[11]
NTE-2	DM4DB0W	Discovery agent	N.A.	Investigative	[11]
NTE-1	DMFIE0U	Discovery agent	N.A.	Investigative	[11]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Insulin-degrading enzyme (IDE)	TT2EDHU	IDE_HUMAN	Inhibitor	[1]
Trypanosoma Cruzipain (Trypano CYSP)	TTEAID7	CYSP_TRYCR	Inhibitor	[2]

References

• [1] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
• [2] Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem. 2010 Jul 8;53(13):4891-905.
• [3] Colloid formation by drugs in simulated intestinal fluid. J Med Chem. 2010 May 27;53(10):4259-65.
• [4] 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.
• [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] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [7] Opportunities and challenges in antiparasitic drug discovery. Nat Rev Drug Discov. 2005 Sep;4(9):727-40.
• [8] 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.
• [9] Brain insulin impairs amyloid-beta(1-40) clearance from the brain. J Neurosci. 2004 Oct 27;24(43):9632-7.
• [10] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2371).
• [11] Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J Biol Chem. 2015 Aug 14;290(33):20044-59.