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

General Information of Drug (ID: DMGHQJ8)

• Drug Name: N-(phosphonacetyl)-L-aspartate Drug Info
• Synonyms: Sparfosic acid; PALA; n-(phosphonacetyl)-l-aspartic acid; N-(Phosphonoacetyl)-L-aspartic acid; Sparfosic Acid [INN]; NSC-224131; UNII-78QVZ7RG8L; 51321-79-0; L-ASPARTIC ACID, N-(PHOSPHONOACETYL)-; N-Phosphonacetyl-L-aspartate; Phosphonacetyl-L-aspartic acid; Acidum sparfosicum [INN-Latin]; Acido sparfosico [INN-Spanish]; Acide sparfosique [INN-French]; N-(Phosphonoacetyl)-asparaginsaeure; N-(Phosphonacetyl)-L-Aspartate; 78QVZ7RG8L; (2S)-2-[(2-phosphonoacetyl)amino]butanedioic acid; Acido sparfosico; Acide sparfosique; Acidum; SPARFOSIC ACID

Indication

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

• Cross-matching ID:
  PubChem CID: 46926274
  TTD Drug ID: DMGHQJ8

Molecule-Related Drug Atlas

Drug(s) Targeting Carbonic anhydrase II (CA-II)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[4]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[5]
Dorzolamide	DMA17D0	Ocular hypertension	9C61.01	Approved	[6]
Chlorothiazide	DMLHESP	Chronic heart failure	BD1Z	Approved	[7]
Ethoxzolamide	DMVO4ED	Glaucoma/ocular hypertension	9C61	Approved	[8]
Dichlorphenamide	DMH7IDQ	Chronic glaucoma	9C61.0Z	Approved	[8]
Cyclothiazide	DMJ4AWC	Congestive heart failure	BD10	Approved	[9]
Ethinamate	DMK57GB	Insomnia	7A00-7A0Z	Approved	[10]
Benzthiazide	DMQWZ0H	High blood pressure	BA00	Approved	[11]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[12]

Drug(s) Targeting Carbonic anhydrase IV (CA-IV)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[4]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[13]
Brinzolamide	DMBAPFG	Ocular hypertension	9C61.01	Approved	[14]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[12]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[15]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[12]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[16]
Sodium pyruvate	DMST6A3	Asthma	CA23	Phase 1/2	[17]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[18]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[15]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aspartate carbamoyltransferase (CAD)	TT2YT1K	PYR1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[2]
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[2]
Pseudomonas Aspartate carbamoyltransferase (Pseudo pyrB)	TTDRBPW	PYRB_PSEPU	Inhibitor	[3]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with organic phosphates and phosphonates. Bioorg Med Chem Lett. 2005 Mar 15;15(6):1683-6.
• [3] Mechanism of resistance of variants of the Lewis lung carcinoma to N-(phosphonacetyl)-L-aspartic acid. Cancer Res. 1981 Mar;41(3):894-904.
• [4] Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid. Bioorg Med Chem. 2008 Aug 1;16(15):7424-8.
• [5] Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
• [6] Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15;17(14):5054-8.
• [7] Localization of diuretic effects along the loop of Henle: an in vivo microperfusion study in rats. Clin Sci (Lond). 2000 Apr;98(4):481-8.
• [8] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [9] Selective effect of thiazides on the human osteoblast-like cell line MG-63. Kidney Int. 1996 Nov;50(5):1476-82.
• [10] Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.
• [11] Nature of the inhibition of carbonic anhydrase by acetazolamide and benzthiazide. J Pharmacol Exp Ther. 1961 Mar;131:271-4.
• [12] Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
• [13] Carbonic anhydrase inhibitors. Inhibition of the membrane-bound human and bovine isozymes IV with sulfonamides. Bioorg Med Chem Lett. 2005 Feb 15;15(4):1149-54.
• [14] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [15] Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-2164.
• [16] Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-r... Bioorg Med Chem Lett. 2008 Aug 1;18(15):4282-6.
• [17] Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. Bioorg Med Chem Lett. 2005 Feb 1;15(3):573-8.
• [18] Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mamm... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3601-5.