Details of the Drug

General Information of Drug (ID: DM7RPHN)

Drug Name

Polymyxins

Synonyms

NAB-7061; NAB-737; NAB-739; NAB-740; NAB-741; Polymyxins (gram negative bacterial infection); Antibacterial compounds (gram negative bacterial infection), Northern Antibiotics; Polymyxins (gram negative bacterial infection), Northern Antibiotics

Indication

Disease Entry	ICD 11	Status	REF
Gram-positive bacterial infection	1B74-1G40	Investigative	[1]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C48H82N16O14
Canonical SMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)O)C(C)O)CCN)CCN
InChI: 1S/C48H82N16O14/c1-24(2)22-34-44(73)57-28(10-16-49)38(67)56-31(13-19-52)42(71)63-36(25(3)65)46(75)54-21-15-33(41(70)55-29(11-17-50)40(69)61-35(45(74)60-34)23-27-8-6-5-7-9-27)58-39(68)30(12-18-51)59-47(76)37(26(4)66)64-43(72)32(14-20-53)62-48(77)78/h5-9,24-26,28-37,62,65-66H,10-23,49-53H2,1-4H3,(H,54,75)(H,55,70)(H,56,67)(H,57,73)(H,58,68)(H,59,76)(H,60,74)(H,61,69)(H,63,71)(H,64,72)(H,77,78)/t25-,26-,28+,29+,30+,31+,32+,33+,34+,35-,36+,37+/m1/s1
InChIKey: WGRSQPZAOZIPGC-VVYZPAMCSA-N

Cross-matching ID

PubChem CID: 3083714
CAS Number: 1406-11-7
TTD ID: D0O1OL

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.