Details of the Drug

General Information of Drug (ID: DM26UKN)

Drug Name

GNF-PF-2224

Synonyms

8-Cyclopentyl-1,3-dipropylxanthine; DPCPX; 102146-07-6; 8-cyclopentyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione; 1,3-Dpcpx; 1,3-dipropyl-8-cyclopentylxanthine; PD-116,948; PD-116948; UNII-9PTP4FOI9E; dipropylcyclopentylxanthine; 9PTP4FOI9E; CHEMBL183; MLS000069347; CHEBI:73282; 8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purin-2,6-dione; 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione; 1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX]; SMR000058434; DPCPX, 1,3-Dipropyl-8-cyclopentylxanthine

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

304.39

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C16H24N4O2
IUPAC Name: 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
Canonical SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3
InChI: InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKey: FFBDFADSZUINTG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1329
ChEBI ID: CHEBI:73282
CAS Number: 102146-07-6
DrugBank ID: DB12946
TTD ID: D0K0OT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[2]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[3]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[4]
Adenosine receptor (ADOR)	TTSLI08	NOUNIPROTAC	Antagonist	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Adenosine receptor A1 (ADORA1)	OTI7X39E	AA1R_HUMAN	Protein Interaction/Cellular Processes	[5]
Adenosine receptor A2a (ADORA2A)	OTVRBZ0I	AA2AR_HUMAN	Protein Interaction/Cellular Processes	[6]
Adenosine receptor A2b (ADORA2B)	OTCDYBBP	AA2BR_HUMAN	Protein Interaction/Cellular Processes	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Minoxidil-induced hair growth is mediated by adenosine in cultured dermal papilla cells: possible involvement of sulfonylurea receptor 2B as a target of minoxidil. J Invest Dermatol. 2001 Dec;117(6):1594-600.
2	Synthesis and theoretical studies on energetics of novel N- and O- perfluoroalkyl triazole tagged thienopyrimidines--their potential as adenosine r... Eur J Med Chem. 2010 May;45(5):1739-45.
3	Discovery of FK453, a novel non-xanthine adenosine A1 receptor antagonist, Bioorg. Med. Chem. Lett. 6(17):2059-2062 (1996).
4	Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as selective human A(1) adenosine receptor ligands. Bioorg Med Chem. 2010 Nov 15;18(22):7890-9.
5	Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists. J Med Chem. 2011 Jan 27;54(2):457-71. doi: 10.1021/jm100843z. Epub 2010 Dec 27.
6	Discovery of phosphoric acid mono-{2-[(E/Z)-4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-benzoylimino]-thiazol-3-ylmethyl} ester (Lu AA47070): a phosphonooxymethylene prodrug of a potent and selective hA(2A) receptor antagonist. J Med Chem. 2011 Feb 10;54(3):751-64. doi: 10.1021/jm1008659. Epub 2011 Jan 6.