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

General Information of Drug (ID: DMA96U5)

• Drug Name: 1-(9H-beta-Carbolin-3-yl)-butan-1-one Drug Info
• Synonyms: CHEMBL69719; AC1NFSYI; 1-(9H-beta-Carbolin-3-yl)-butan-1-one; 3-Butyryl-beta-carboline; CHEMBL510764; ZINC7260873; BDBM50001474

Indication

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

• Cross-matching ID:
  PubChem CID: 4713438
  TTD Drug ID: DMA96U5

Molecule-Related Drug Atlas

Drug(s) Targeting GABA(A) receptor alpha-1 (GABRA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[2]
Zolpidem	DMWOSKJ	Insomnia	7A00-7A0Z	Approved	[3]
Methoxyflurane	DML0RAE	Anaesthesia	9A78.6	Approved	[2]
Nitrazepam	DMEGIQ6	Epilepsy	8A60-8A68	Approved	[2]
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	approved	[4]
Clobazam - Lundbeck	DMW1OQ0	Anxiety disorder	6B00-6B0Z	Approved	[2]
Hexobarbital	DMQ314B	Anaesthesia	9A78.6	Approved	[2]
THIOCOLCHICOSIDE	DMEPWYA	Muscle spasm	MB47.3	Approved	[5]
Meprobamate	DMHM93Y	Anxiety		Approved	[2]
Zaleplon	DMGFWSM	Insomnia	7A00-7A0Z	Approved	[6]

Drug(s) Targeting Gamma-aminobutyric acid receptor (GAR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenobarbital	DMXZOCG	Cluster headache	8A81.0	Approved	[2]
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	approved	[7]
THIOCOLCHICOSIDE	DMEPWYA	Muscle spasm	MB47.3	Approved	[5]
Clonazepam	DMTO13J	Absence epilepsy		Approved	[8]
Piperazine	DMTY9LU	Ascariasis	1F62	Approved	[9]
Alpidem	DMN7Y9K	Anxiety disorder	6B00-6B0Z	Approved	[10]
Moxidectin	DMYGHX5	Onchocerciasis	1F6A	Approved	[11]
DP-VPA	DMGOXPQ	Bipolar disorder	6A60	Approved	[12]
ANDROSTERONE	DMITJAK	N. A.	N. A.	Phase 3	[7]
ZK-93423	DMFWMKZ	Epileptic seizures	8A61-8A6Z	Phase 3	[13]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach. J Med Chem. 1992 Oct 30;35(22):4001-10.
• [2] DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
• [3] Zolpidem, a selective GABA(A) receptor alpha1 subunit agonist, induces comparable Fos expression in oxytocinergic neurons of the hypothalamic paraventricular and accessory but not supraoptic nuclei in the rat.Brain Res Bull.2006 Dec 11;71(1-3):200-7.
• [4] Neurosteroid analogues. 10. The effect of methyl group substitution at the C-6 and C-7 positions on the GABA modulatory and anesthetic actions of (... J Med Chem. 2005 Apr 21;48(8):3051-9.
• [5] 3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [7] Neurosteroid analogues. 11. Alternative ring system scaffolds: gamma-aminobutyric acid receptor modulation and anesthetic actions of benz[f]indenes. J Med Chem. 2006 Jul 27;49(15):4595-605.
• [8] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
• [9] Cyclooctadepsipeptides--an anthelmintically active class of compounds exhibiting a novel mode of action. Int J Antimicrob Agents. 2003 Sep;22(3):318-31.
• [10] Synthesis and binding affinity of 2-phenylimidazo[1,2-alpha]pyridine derivatives for both central and peripheral benzodiazepine receptors. A new se... J Med Chem. 1997 Sep 12;40(19):3109-18.
• [11] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [12] DP-VPA D-Pharm. Curr Opin Investig Drugs. 2002 Jun;3(6):921-3.
• [13] Structural requirements for agonist actions at the benzodiazepine receptor: studies with analogues of 6-(benzyloxy)-4-(methoxymethyl)-beta-carbolin... J Med Chem. 1990 Mar;33(3):1062-9.