TR5

5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine

Created:	2012-07-13
Last modified:	2020-06-05

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2 entries where TR5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	4
Bond Count	47
Aromatic Bond Count	10

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Chemical Component Summary
Name	5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
Synonyms	Triciribine phosphate
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₃ H₁₇ N₆ O₇ P
Molecular Weight	400.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC4OC(n1cc2C(=NN(c3ncnc1c23)C)N)C(O)C4O
SMILES	CACTVS	3.370	CN1N=C(N)c2cn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c4ncnc1c24
SMILES	OpenEye OEToolkits	1.7.6	CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)COP(=O)(O)O)O)O)C(=N1)N
Canonical SMILES	CACTVS	3.370	CN1N=C(N)c2cn([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c4ncnc1c24
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N
InChI	InChI	1.03	InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1
InChIKey	InChI	1.03	URLYINUFLXOMHP-HTVVRFAVSA-N

Drug Info: DrugBank

DrugBank ID	DB14636
Name	Triciribine phosphate
Groups	investigational
Synonyms	Triciribine phosphate 3-AMINO-1,5-DIHYDRO-5-METHYL-1-.BETA.-D-RIBOFURANOSYL-1,4,5,6,8-PENTAAZAACENAPHTHYLENE 5'-(DIHYDROGEN PHOSPHATE) Pentaazaacenaphthylene-5' phosphate ester TCN-P
Categories	Naphthalenes Nucleic Acids, Nucleotides, and Nucleosides Nucleotides
CAS number	61966-08-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
RAC-gamma serine/threonine-protein kinase	MSDVTIVKEGWVQKRGEYIKNWRPRYFLLKTDGSFIGYKEKPQDVDLPYP...	unknown	modulator

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682