IMD

IMIDAZOLE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge1
Atom Count10
Chiral Atom Count0
Bond Count10
Aromatic Bond Count5
2D diagram of IMD
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Chemical Component Summary

NameIMIDAZOLE
Systematic Name (OpenEye OEToolkits)3H-imidazol-1-ium
FormulaC3 H5 N2
Molecular Weight69.085
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04c1c[nH+]cn1
SMILESCACTVS3.341[nH]1cc[nH+]c1
SMILESOpenEye OEToolkits1.5.0c1c[nH+]c[nH]1
Canonical SMILESCACTVS3.341 [nH]1cc[nH+]c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1c[nH+]c[nH]1
InChIInChI1.03 InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
InChIKeyInChI1.03 RAXXELZNTBOGNW-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank IDDB03366 
NameImidazole
Groups
  • experimental
  • investigational
SynonymsImidazole
Categories
  • Enzyme Inhibitors
  • Thromboxane-A Synthase, antagonists & inhibitors
CAS number288-32-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Monomeric sarcosine oxidaseMSTHFDVIVVGAGSMGMAAGYQLAKQGVKTLLVDAFDPPHTNGSHHGDTR...unknown
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferaseMQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...unknown
MyoglobinMGLSDGEWQLVLNVWGKVEADIPGHGQEVLIRLFKGHPETLEKFDKFKHL...unknown
Nitric oxide synthase, inducibleMACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...unknown
Adenylate kinase 2, mitochondrialMAPSVPAAEPEYPKGIRAVLLGPPGAGKGTQAPRLAENFCVCHLATGDML...unknown
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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 4434133, 21983501, 444234
ChEBI CHEBI:50059
CCDC/CSD BOFGAF, ADEPOP, BIQFAL01, BOQWAG, CAFKIG, BIQHUH01, DEZSIM, BIQBIM, BIQFAL, BIPJUG, CADYOX, DEGDOK, BIPQUM, CITRUS10, CABDES, CAPKIP, AFOTAR, DEZSAE, CABCOB02, BIPJIV, CADPOO, CUHVUY, CETNUN, DEZROR, DEYHIA01, DEYHIA02, BIQHUH, DEZSEI, CILNUI, DEYHIA, CIJVUO, CIJWAV, DEZRUX, ADAKAR, CAHCIA, COJTIH, CUJREG, ACIPOR, BIPJER, APESOE, CAHCOG, BAMQAH, BIYDIY, CASSEV, APESOE01, DAFWEN, DARBAC, AFOTIZ
COD 2237948, 7224153, 7209980, 7209978