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

2D diagram of TR5

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

Related Resource References

Resource Name	Reference
PubChem	43860
ChEMBL	CHEMBL462018

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