BRD

1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE

Created: 2002-09-17
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count4
Bond Count32
Aromatic Bond Count0
2D diagram of BRD
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Chemical Component Summary

Name1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE
Systematic Name (OpenEye OEToolkits)1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-1,3-diazepin-2-one
FormulaC10 H14 N2 O5
Molecular Weight242.229
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC=CC=CN1C2OC(C(O)C2O)CO
SMILESCACTVS3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC=CNC2=O
SMILESOpenEye OEToolkits1.5.0C1=CNC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=CNC2=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChIInChI1.03 InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
InChIKeyInChI1.03 MEPCJRCEYSZBDO-FNCVBFRFSA-N

Drug Info: DrugBank

DrugBank IDDB03185 
Name1-Beta-Ribofuranosyl-1,3-Diazepinone
Groups experimental
Synonyms1-Beta-Ribofuranosyl-1,3-Diazepinone

Drug Targets

NameTarget SequencePharmacological ActionActions
Cytidine deaminaseMAQKRPACTLKPECVQQLLVCSQEAKKSAYCPYSHFPVGAALLTQEGRIF...unknown
Cytidine deaminaseMAQKRPACTLKPECVQQLLVCSQEAKKSAYCPYSHFPVGAALLTQEGRIF...unknownligand
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 5287841