AC2

9-HYROXYETHOXYMETHYLGUANINE

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

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count5
2D diagram of AC2
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Chemical Component Summary

Name9-HYROXYETHOXYMETHYLGUANINE
Systematic Name (OpenEye OEToolkits)2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
FormulaC8 H11 N5 O3
Molecular Weight225.205
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c2ncn(c2N=C(N1)N)COCCO
SMILESCACTVS3.341NC1=Nc2n(COCCO)cnc2C(=O)N1
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1COCCO)N=C(NC2=O)N
Canonical SMILESCACTVS3.341 NC1=Nc2n(COCCO)cnc2C(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 c1nc2c(n1COCCO)N=C(NC2=O)N
InChIInChI1.03 InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChIKeyInChI1.03 MKUXAQIIEYXACX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB00787 
NameAcyclovir
Groups approved
DescriptionAcyclovir is a deoxynucleoside analog antiviral used to treat herpes simplex, _Varicella zoster_, herpes zoster, herpes labialis, and acute herpetic keratitis.[L7303,L7315,L7318,L7321,L7324,L7327] Acyclovir is generally used first line in the treatment of these viruses and some products are indicated for patients as young as 6 years old.[L7321] Acyclovir was granted FDA approval on 29 March 1982.[L7318]
Synonyms
  • Acyclovir
  • Acycloguanosine
  • Acyclovir sodium
  • Aciclovirum
  • Aciclovir
Brand Names
  • Alti-acyclovir - Tab 200mg
  • Mint-acyclovir
  • Teva-acyclovir
  • Zovirax
  • Zovirax 400
IndicationAn acyclovir topical cream is indicated to treat recurrent herpes labialis in immunocompetent patients 12 years and older.[L7303] Acyclovir oral tablets, capsules, and suspensions are indicated to treat herpes zoster, genital herpes, and chickenpox.[L7315] An acyclovir topical ointment is indicated to treat initial genital herpes and limited non-life-threatening mucocutaneous herpes simplex in immunocompromised patients.[L7318] An acyclovir cream with hydrocortisone is indicated to treat recurrent herpes labialis, and shortening lesion healing time in patients 6 years and older.[L7321] An acyclovir buccal tablet is indicated for the treatment of recurrent herpes labialis.[L7324] An acyclovir ophthalmic ointment is indicated to treat acute herpetic keratitis.[L7327]
Categories
  • Acyclovir and prodrug
  • Anti-Infective Agents
  • Antiinfectives for Systemic Use
  • Antiviral Agents
  • Antivirals for Systemic Use
ATC-Code
  • J05AB01
  • D06BB03
  • S01AD03
  • D06BB53
CAS number59277-89-3

Drug Targets

NameTarget SequencePharmacological ActionActions
DNA polymerase catalytic subunitMFSGGGGPLSPGGKSAARAASGFFAPAGPRGASRGPPPCLRQNFYNPYLA...unknowninhibitor
DNA polymerase catalytic subunitMAIRTGFCNPFLTQASGIKYNPRTGRGSNREFLHSYKTTMSSFQFLAPKC...unknowninhibitor
Thymidine kinaseMASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLL...unknownsubstrate
Guanylate kinaseMSGPRPVVLSGPSGAGKSTLLKRLLQEHSGIFGFSVSHTTRNPRPGEENG...unknownsubstrate
Nucleoside diphosphokinaseMANCERTFIAIKPDGVQRGLVGEIIKRFEQKGFRLVGLKFMQASEDLLKE...unknownsubstrate
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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 5280999, 2022, 135398513
ChEMBL CHEMBL184
ChEBI CHEBI:2453
CCDC/CSD RIGDES, WOZPAE01, HOPBOD, MECWOI, MECWIC04, MECWIC01, RIGDAO, CEHTAK10, MECWIC, WOZPAE, MECWIC03
COD 7210428, 2105165, 2105164