PN6

(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione

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is present as a standalone ligand in 4 entries

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Chemical Component Summary
Name	(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
Synonyms	Plinabulin
Identifiers	(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylidene)piperazine-2,5-dione
Formula	C₁₉ H₂₀ N₄ O₂
Molecular Weight	336.388
Type	NON-POLYMER
Isomeric SMILES	CC(C)(C)c1c(nc[nH]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2
InChI	InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
InChIKey	UNRCMCRRFYFGFX-TYPNBTCFSA-N

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	11

Drug Info: DrugBank

DrugBank ID	DB05992
Name	Plinabulin
Groups	investigational
Synonyms	Plinabulin
Indication	Investigated for use/treatment in cancer/tumors (unspecified).
Categories	Deuterium Piperazines
CAS number	714272-27-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tumor necrosis factor	MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCL...	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