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

General Information of Drug (ID: DMAOGBP)

• Drug Name: 2,4-Diamino-butyric acid(GABA) Drug Info
• Synonyms: 2,4-Diaminobutanoic acid; 2,4-Diaminobutyric acid; 305-62-4; 2,4-Diamino-butyric acid; alpha,gamma-Diaminobutyric acid; 2,4-diamino-butanoic acid; DL-2,4-Diaminobutyric acid; Butanoic acid, 2,4-diamino-; CHEBI:64307; EINECS 206-166-2; Butyric acid, 2,4-diamino-; CHEMBL307931; OGNSCSPNOLGXSM-UHFFFAOYSA-N; Butanoic acid, 2,4-diamino-, (+)-; Butanoic acid, 2,4-diamino-, dihydrochloride; 6970-28-1; 2,4-Diaminobutyrate; 2,4-Diaminobutanoate; NSC41117; 2,4-diamino-butanoate; DL-2,4-Diaminobutanoate; AC1Q28UL; SCHEMBL34705

Indication

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

• Cross-matching ID:
  PubChem CID: 470
  ChEBI ID: CHEBI:64307
  CAS Number: CAS 305-62-4
  TTD Drug ID: DMAOGBP

Molecule-Related Drug Atlas

Drug(s) Targeting GABA transporter-3 (SLC6A11)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
GSK683699	DMTW79H	Inflammatory bowel disease	DD72	Phase 2	[2]
NIPECOTIC ACID	DMPV450	Discovery agent	N.A.	Investigative	[2]
Beta-Alanine	DMC64EI	Discovery agent	N.A.	Investigative	[3]
4-Hydroxy-piperidine-3-carboxylic acid	DM9VQ0T	Discovery agent	N.A.	Investigative	[4]

Drug(s) Targeting GABA transporter GAT-1 (SLC6A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tiagabine	DMKSQG0	Epilepsy	8A60-8A68	Approved	[5]
Metadoxine	DMM4QOJ	Multiple myeloma	2A83	Approved	[6]
GSK683699	DMTW79H	Inflammatory bowel disease	DD72	Phase 2	[7]
CI-966	DM8T2KA	Convulsion	8A68.Z	Phase 1	[8]
NIPECOTIC ACID	DMPV450	Discovery agent	N.A.	Investigative	[2]
LU32-176B	DM2YOVC	Discovery agent	N.A.	Investigative	[9]
(R)-nipecotic acid	DMWGB40	Discovery agent	N.A.	Investigative	[7]
4-Hydroxy-piperidine-3-carboxylic acid	DM9VQ0T	Discovery agent	N.A.	Investigative	[4]
(R/S) EF-1500	DMYDG27	Discovery agent	N.A.	Investigative	[5]
(R)-EF-1520	DM297MU	Discovery agent	N.A.	Investigative	[5]

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	[10]
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	approved	[11]
THIOCOLCHICOSIDE	DMEPWYA	Muscle spasm	MB47.3	Approved	[12]
Clonazepam	DMTO13J	Absence epilepsy		Approved	[13]
Piperazine	DMTY9LU	Ascariasis	1F62	Approved	[14]
Alpidem	DMN7Y9K	Anxiety disorder	6B00-6B0Z	Approved	[15]
Moxidectin	DMYGHX5	Onchocerciasis	1F6A	Approved	[16]
DP-VPA	DMGOXPQ	Bipolar disorder	6A60	Approved	[17]
ANDROSTERONE	DMITJAK	N. A.	N. A.	Phase 3	[11]
ZK-93423	DMFWMKZ	Epileptic seizures	8A61-8A6Z	Phase 3	[18]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA transporter GAT-1 (SLC6A1)	TTPRKM0	SC6A1_HUMAN	Inhibitor	[1]
GABA transporter-3 (SLC6A11)	TT8RXO5	S6A11_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Glycine antagonists. Synthesis, structure, and biological effects of some bicyclic 5-isoxazolol zwitterions. J Med Chem. 1986 Feb;29(2):224-9.
• [2] Epimeric cis-decahydroquinoline-5-carboxylic acids: effects on gamma-aminobutyric acid uptake and receptor binding in vitro. J Med Chem. 1981 Jul;24(7):788-94.
• [3] Stable expression of a neuronal gamma-aminobutyric acid transporter, GAT-3, in mammalian cells demonstrates unique pharmacological properties and ion dependence. Mol Pharmacol. 1994 Sep;46(3):550-7.
• [4] Hydroxy- and amino-substituted piperidinecarboxylic acids as gamma-aminobutyric acid agonists and uptake inhibitors. J Med Chem. 1982 Oct;25(10):1157-62.
• [5] 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: 929).
• [6] Company report (Alcobra pharma)
• [7] Novel secoergoline derivatives inhibit both GABA and glutamate uptake in rat brain homogenates: synthesis, in vitro pharmacology, and modeling. J Med Chem. 2004 Nov 4;47(23):5620-9.
• [8] Tiagabine, SK&F 89976-A, CI-966, and NNC-711 are selective for the cloned GABA transporter GAT-1. Eur J Pharmacol. 1994 Oct 14;269(2):219-24.
• [9] First demonstration of a functional role for central nervous system betaine/{gamma}-aminobutyric acid transporter (mGAT2) based on synergistic anti... J Pharmacol Exp Ther. 2005 Feb;312(2):866-74.
• [10] DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
• [11] 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.
• [12] 3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.
• [13] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
• [14] Cyclooctadepsipeptides--an anthelmintically active class of compounds exhibiting a novel mode of action. Int J Antimicrob Agents. 2003 Sep;22(3):318-31.
• [15] 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.
• [16] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [17] DP-VPA D-Pharm. Curr Opin Investig Drugs. 2002 Jun;3(6):921-3.
• [18] 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.