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

General Information of Drug (ID: DM7VQTO)

• Drug Name: MRK016 Drug Info
• Synonyms: MRK-016; MRK 016

Indication

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

• Cross-matching ID:
  PubChem CID: 6918583
  CAS Number: CAS 342652-67-9
  TTD Drug ID: DM7VQTO

Molecule-Related Drug Atlas

Drug(s) Targeting GABA(A) receptor alpha-2 (GABRA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flumazenil	DMPCG2L	Benzodiazepine overdose	PC91	Approved	[3]
GSK683699	DMTW79H	Inflammatory bowel disease	DD72	Phase 2	[4]
PF-4480682	DMWYJHC	Neuropathic pain	8E43.0	Discontinued in Phase 2	[5]
CGS-17867A	DMMZJY3	Alcohol dependence	6C40.2	Terminated	[6]
TBPS	DMFC3XP	Discovery agent	N.A.	Investigative	[3]
AMENTOFLAVONE	DMLRNV2	Discovery agent	N.A.	Investigative	[7]
Ro-15-3505	DM4NW3U	Discovery agent	N.A.	Investigative	[8]
isonipecotic acid	DMO1ZHE	Discovery agent	N.A.	Investigative	[3]
[3H]Ro154513	DMMBWKL	Discovery agent	N.A.	Investigative	[9]
[3H]CGS8216	DMLP68J	Inflammation	1A00-CA43.1	Investigative	[3]

Drug(s) Targeting GABA(A) receptor alpha-3 (GABRA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flumazenil	DMPCG2L	Benzodiazepine overdose	PC91	Approved	[10]
GSK683699	DMTW79H	Inflammatory bowel disease	DD72	Phase 2	[4]
Adipiplon	DM821BS	Sleep-wake disorder	7A00-7B2Z	Phase 2	[11]
NS-2710	DMMUR6V	Anxiety disorder	6B00-6B0Z	Phase 2	[12]
AZD6280	DMFAZLU	Anxiety disorder	6B00-6B0Z	Discontinued in Phase 1	[13]
TBPS	DMFC3XP	Discovery agent	N.A.	Investigative	[10]
AMENTOFLAVONE	DMLRNV2	Discovery agent	N.A.	Investigative	[7]
Ro-15-3505	DM4NW3U	Discovery agent	N.A.	Investigative	[8]
isonipecotic acid	DMO1ZHE	Discovery agent	N.A.	Investigative	[10]
[3H]Ro154513	DMMBWKL	Discovery agent	N.A.	Investigative	[9]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-2 (GABRA2)	TTBMV1G	GBRA2_HUMAN	Modulator	[2]
GABA(A) receptor alpha-3 (GABRA3)	TT37EDJ	GBRA3_HUMAN	Modulator	[2]

References

• [1] 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: 4257).
• [2] A randomized clinical trial of MK-0777 for the treatment of cognitive impairments in people with schizophrenia.Biol Psychiatry.2011 Mar 1;69(5):442-9.
• [3] 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: 405).
• [4] New anticonvulsants: Schiff bases of gamma-aminobutyric acid and gamma-aminobutyramide. J Med Chem. 1980 Jun;23(6):702-4.
• [5] WO patent application no. 2014,1515,17, Methods of improving microvascular integrity.
• [6] 2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones: functionally selective benzodiazepine binding site ligands on the GABAA receptor. Bioorg Med Chem Lett. 2004 Jul 5;14(13):3441-4.
• [7] Semisynthetic preparation of amentoflavone: A negative modulator at GABA(A) receptors. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2281-4.
• [8] The GABA(A) receptor as a target for photochromic molecules. Bioorg Med Chem. 2010 Nov 15;18(22):7731-8.
• [9] Synthesis and pharmacological properties of novel 8-substituted imidazobenzodiazepines: high-affinity, selective probes for alpha 5-containing GABA... J Med Chem. 1996 Apr 26;39(9):1928-34.
• [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: 406).
• [11] Discriminative stimulus properties of GABAA receptor positive allosteric modulators TPA023, ocinaplon and NG2-73 in rats trained to discriminate chlordiazepoxide or zolpidem. Eur J Pharmacol. 2011 Oct 1;668(1-2):190-3.
• [12] GABAA receptor subtype-selective modulators. I. alpha2/alpha3-selective agonists as non-sedating anxiolytics. Curr Top Med Chem. 2011;11(9):1176-202.
• [13] AZD6280, a novel partial -aminobutyric acid A receptor modulator, demonstrates a pharmacodynamically selective effect profile in healthy male volunteers.J Clin Psychopharmacol.2015 Feb;35(1):22-33.