TNK

6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count53
Aromatic Bond Count12
2D diagram of TNK
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Chemical Component Summary

Name6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
Systematic Name (OpenEye OEToolkits)1-(phenylmethoxymethyl)-6-(phenylmethyl)-5-propan-2-yl-pyrimidine-2,4-dione
FormulaC22 H24 N2 O3
Molecular Weight364.438
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C(=C(N(C(=O)N1)COCc2ccccc2)Cc3ccccc3)C(C)C
SMILESCACTVS3.341CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O
SMILESOpenEye OEToolkits1.5.0CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3
Canonical SMILESCACTVS3.341 CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3
InChIInChI1.03 InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
InChIKeyInChI1.03 KSAAUHMSLCPIEX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08634 
Name6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
Groups experimental
Synonyms6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL

Drug Targets

NameTarget SequencePharmacological ActionActions
Gag-Pol polyproteinMGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...unknown
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

Related Resource References

Resource NameReference
PubChem 446515
ChEMBL CHEMBL436546
ChEBI CHEBI:45910