2D 3D
	ID	DDInter1489
	Drug Type	small molecule
	Molecular Formula	C56H98N16O13
	Molecular Weight	1203.499
	CAS Number	1404-26-8
	Description	Polymyxin B was discovered in the 1940s[A176429]. They are basic polypeptides of about eight amino acids and have cationic detergent action on cell membranes[A176426]. Polymyxin B is used for infections with gram-negative organisms, but may be neurotoxic and nephrotoxic[A176426,FDA Label]. All gram-positive bacteria, fungi, and the gram-negative cocci, are resistant[A176426]. It is appropriate for treatment of infections of the urinary tract, meninges, and blood stream, caused by susceptible strains of _Pseudomonas aeruginosa_[FDA Label]. Polymyxin B has a narrow therapeutic index and so its use is limited and unlikely to be used first line[A176429].
	ATC Classification	S02AA11 S03AA03 J01XB02 A07AA05 S01AA18
IUPAC Name	N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]-6-methyloctanamide
InChI	WQVJHHACXVLGBL-BPJDFBQWSA-N
Canonical SMILES	[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)[C@@H](C)O)[C@@H](C)O
Useful Links	DrugBank ChemSpider BindingDB Wikipedia ChEMBL