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

General Information of Drug (ID: DMRUIX3)

• Drug Name: GP515 Drug Info
• Synonyms: 1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 1-(5-amino-5-deoxy-beta-D-ribofuranosyl)-3-bromo-; GP 1-515; CHEMBL356141; 144928-48-3; GP-515; Adenosine kinase inhibitor GP515; GP-1-515; SCHEMBL2053010; AC1L31E2; DTXSID30162847; BDBM50134744; 1-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-3-bromo-1H-pyrazolo(3,4-d)pyrimidin-4-amine; 4-Amino-1-(5-amino-5-deoxy-1-beta-D-ribofuranosyl)-3-bromopyrazolo(3,4-d)pyrimidine; (2R,3R,4S,5R)-2-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)-5-(aminomethyl)oxolane-3,4-diol; 19-nor-10-azasteroid skeleton

Indication

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

• Cross-matching ID:
  PubChem CID: 132663
  CAS Number: CAS 144928-48-3
  TTD Drug ID: DMRUIX3

Molecule-Related Drug Atlas

Drug(s) Targeting Steroid 5-alpha-reductase 1 (SRD5A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
FR-146687	DMGO45I	Prostate disease	GA91	Phase 2	[3]
MK-386	DM48ELZ	Acne vulgaris	ED80	Discontinued in Phase 2	[4]
AS-601811	DMINF80	Acne vulgaris	ED80	Discontinued in Phase 1	[5]
Bexlosteride	DMH7YD4	N. A.	N. A.	Terminated	[4]
2,3,5,6-Tetrafluoro-4-pentafluorophenylazo-phenol	DMRVYKQ	Discovery agent	N.A.	Investigative	[6]
4-[4-benzyloxy)benzoyl]benzoic acid	DMQ9IN4	Discovery agent	N.A.	Investigative	[7]
4-[4-(benzhydryloxy)benzoyl]benzoic acid	DM8MVE9	Discovery agent	N.A.	Investigative	[7]
(3-methyl-4-(4-phenoxybenzoyl)phenyl)acetic acid	DMX5CY3	Discovery agent	N.A.	Investigative	[7]
(3-fluoro-4-(4-phenoxybenzoyl)phenyl)acetic acid	DMPHM23	Discovery agent	N.A.	Investigative	[7]
{4-[4-(4-bromophenoxy)benzoyl]phenyl}acetic acid	DMX53OY	Discovery agent	N.A.	Investigative	[7]

Drug(s) Targeting Steroid 5-alpha-reductase 2 (SRD5A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Finasteride	DMWV3TZ	Baldness, male pattern		Approved	[8]
2,3,5,6-Tetrafluoro-4-pentafluorophenylazo-phenol	DMRVYKQ	Discovery agent	N.A.	Investigative	[6]
4-[4-benzyloxy)benzoyl]benzoic acid	DMQ9IN4	Discovery agent	N.A.	Investigative	[7]
4-[4-(benzhydryloxy)benzoyl]benzoic acid	DM8MVE9	Discovery agent	N.A.	Investigative	[7]
(3-methyl-4-(4-phenoxybenzoyl)phenyl)acetic acid	DMX5CY3	Discovery agent	N.A.	Investigative	[7]
(3-fluoro-4-(4-phenoxybenzoyl)phenyl)acetic acid	DMPHM23	Discovery agent	N.A.	Investigative	[7]
{4-[4-(4-bromophenoxy)benzoyl]phenyl}acetic acid	DMX53OY	Discovery agent	N.A.	Investigative	[7]
(E)-3-(4-(4-phenoxybenzoyl)phenyl)acrylic acid	DMOWGT3	Discovery agent	N.A.	Investigative	[7]
4,4'-dihydroxyoctafluoroazobenzene	DM1ONBT	Discovery agent	N.A.	Investigative	[6]
4-(4-phenoxybenzoyl)benzoic acid	DMOHB6U	Discovery agent	N.A.	Investigative	[7]

Drug(s) Targeting Adenosine kinase (ADK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
GP-3269	DM035LO	Convulsion	8A68.Z	Phase 1	[9]
ABT-702	DMYJMV9	Pain	MG30-MG3Z	Terminated	[10]
GP-683	DMPODL9	Pain	MG30-MG3Z	Terminated	[11]
A-134974	DMRWDX5	Epilepsy	8A60-8A68	Terminated	[12]
5'-iodotubercidin	DML5ZEJ	Discovery agent	N.A.	Investigative	[13]
MB-03966	DM9KLQC	Epileptic seizures	8A61-8A6Z	Investigative	[14]
5-iodo,5'-deoxytubercidin	DMVT2LW	Discovery agent	N.A.	Investigative	[15]
6-Benzylthioinosine	DMNXGZP	Discovery agent	N.A.	Investigative	[16]
Iodotubercidin	DMQMH6S	Discovery agent	N.A.	Investigative	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine kinase (ADK)	TTL732K	ADK_HUMAN	Inhibitor	[2]
Steroid 5-alpha-reductase 1 (SRD5A1)	TTTU72V	S5A1_HUMAN	Inhibitor	[1]
Steroid 5-alpha-reductase 2 (SRD5A2)	TTT02K8	S5A2_HUMAN	Inhibitor	[1]

References

• [1] 19-nor-10-azasteroids: a novel class of inhibitors for human steroid 5alpha-reductases 1 and 2. J Med Chem. 1997 Mar 28;40(7):1112-29.
• [2] Adenosine kinase inhibitor GP515 improves experimental colitis in mice. J Pharmacol Exp Ther. 2001 Jan;296(1):99-105.
• [3] Pharmacokinetics and pharmacodynamics of TF-505, a novel nonsteroidal 5alpha-reductase inhibitor, in normal subjects treated with single or multiple doses. Br J Clin Pharmacol. 2002 Sep;54(3):283-94.
• [4] Synthesis of 8-chloro-benzo[c]quinolizin-3-ones as potent and selective inhibitors of human steroid 5alpha-reductase 1. Bioorg Med Chem Lett. 2000 Feb 21;10(4):353-6.
• [5] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013228)
• [6] Hydroxyperfluoroazobenzenes: novel inhibitors of enzymes of androgen biosynthesis. J Med Chem. 1990 Sep;33(9):2452-5.
• [7] Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids. J Med Chem. 2006 Jan 26;49(2):748-59.
• [8] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [9] Adenosine kinase inhibitors. 6. Synthesis, water solubility, and antinociceptive activity of 5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidines substituted at C4 with glycinamides andrelated compounds. J Med Chem. 2005 Dec 1;48(24):7808-20.
• [10] ABT-702, an adenosine kinase inhibitor, attenuates inflammation in diabetic retinopathy. Life Sci. 2013 Jul 30;93(2-3):78-88.
• [11] The effect of GP683, an adenosine kinase inhibitor, on the desflurane anesthetic requirement in dogs. Anesth Analg. 1997 Sep;85(3):675-80.
• [12] Effects of A-134974, a novel adenosine kinase inhibitor, on carrageenan-induced inflammatory hyperalgesia and locomotor activity in rats: evaluation of the sites of action. J Pharmacol Exp Ther. 2001Feb;296(2):501-9.
• [13] Inhibition of adenosine kinase attenuates interleukin-1- and lipopolysaccharide-induced alterations in articular cartilage metabolism. Osteoarthritis Cartilage. 2005 Mar;13(3):250-7.
• [14] Engineered Adenosine-Releasing Cells for Epilepsy Therapy: Human Mesenchymal Stem Cells and Human Embryonic Stem Cells. Neurotherapeutics. 2009 April; 6(2): 278-283.
• [15] Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J Med Chem. 2006 Nov 16;49(23):6726-31.
• [16] Structure-activity relationships of carbocyclic 6-benzylthioinosine analogues as subversive substrates of Toxoplasma gondii adenosine kinase. Bioorg Med Chem. 2010 May 15;18(10):3403-12.
• [17] Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.