Chemical Component Summary

Name9-METHYLGUANINE
Identifiers2-amino-9-methyl-purin-6-ol
FormulaC6 H7 N5 O
Molecular Weight165.153
TypeNON-POLYMER
Isomeric SMILESCn1cnc2c1nc(nc2O)N
InChIInChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
InChIKeyUUWJNBOCAPUTBK-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count20
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB02489 
Name9-Methylguanine
Groups experimental
Synonyms9-Methylguanine
Categories
  • Cytochrome P-450 CYP1A2 Substrates
  • Cytochrome P-450 Substrates
  • Heterocyclic Compounds, Fused-Ring
  • Purines
  • Purinones
CAS number5502-78-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydroneopterin aldolaseMQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLSEAGRTDNVID...unknown
Cytochrome P450 1A2MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...unknownsubstrate
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 135403591, 5287570, 79639
ChEMBL CHEMBL1230674
CCDC/CSD DUXJOY, BUPMAA01, BUPMAA, FOMSIM, YIHKAC, MGUHBR