CB1

5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE

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is present as a standalone ligand in 4 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

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Chemical Component Summary
Name	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE
Synonyms	CB1954; Tretazicar
Identifiers	5-(aziridin-1-yl)-2,4-dinitro-benzamide
Formula	C₉ H₈ N₄ O₅
Molecular Weight	252.184
Type	NON-POLYMER
Isomeric SMILES	c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N
InChI	InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
InChIKey	WOCXQMCIOTUMJV-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB04253
Name	Tretazicar
Groups	investigational
Description	Tretazicar is under investigation in clinical trial NCT00746590 (Study of Anti-tumour Effects and Safety of Prolarix™ in Hepatocellular Carcinoma).
Synonyms	Tretazicar
Categories	Antineoplastic Agents Azirines Prodrugs Radiation-Sensitizing Agents
CAS number	21919-05-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ribosyldihydronicotinamide dehydrogenase [quinone]	MAGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNLEPR...	unknown
Oxygen-insensitive NAD(P)H nitroreductase	MDIISVALKRHSTKAFDASKKLTPEQAEQIKTLLQYSPSSTNSQPWHFIV...	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