Details of the Drug Combination

General Information of Drug Combination (ID: DCRAHAH)

Drug Combination Name
JTC-801 Thiolactomycin
Indication
Disease Entry Status REF
DD2 Investigative [1]
Component Drugs JTC-801   DMV3UN4 Thiolactomycin   DMBAWDG
Small molecular drug Small molecular drug
2D MOL 2D MOL
3D MOL is unavailable 3D MOL
High-throughput Screening Result Testing Cell Line: DD2
Zero Interaction Potency (ZIP) Score: 0.698
Bliss Independence Score: 4.705
Loewe Additivity Score: 2.721
LHighest Single Agent (HSA) Score: 4.312

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of JTC-801
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Discontinued in Phase 2 [2]
JTC-801 Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Nociceptin receptor (OPRL1) TTNT7K8 OPRX_HUMAN Antagonist [5]
------------------------------------------------------------------------------------
Indication(s) of Thiolactomycin
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Investigative [3]
Urinary tract infection GC08 Investigative [4]
Thiolactomycin Interacts with 4 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Bacterial Beta-ketoacyl-ACP synthase I (Bact fabB) TT0O4QL FABB_ECOL6 Binder [3]
Plasmodium Enoyl-ACP reductase (Malaria fabI) TTNX2CS Q965D5_PLAFA Inhibitor [6]
Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH) TTRVTMX FABH_ECOLI Binder [7]
Bacterial Oxoacyl-[acyl-carrier-protein] synthase II (Bact fabF) TTRFV0W FABF_ECOLI Binder [3]
------------------------------------------------------------------------------------

References

1 Recurrent recessive mutation in deoxyguanosine kinase causes idiopathic noncirrhotic portal hypertension.Hepatology. 2016 Jun;63(6):1977-86. doi: 10.1002/hep.28499. Epub 2016 Mar 31.
2 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. (Ligand id: 1692).
3 Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.
4 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
5 Nociceptin receptor antagonist JTC-801 inhibits nitrous oxide-induced analgesia in mice. J Anesth. 2009;23(2):301-3.
6 Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
7 The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51.