POLYMYXIN B SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1957)
Entry Type: Protein
Molecule Category: Parent
UNII: 19371312D4

Structure
InChI Key SBKRTALNRRAOJP-BWSIXKJUSA-N
Smile CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O
InChI
InChI=1S/C56H98N16O13.C55H96N16O13.H2O4S/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78;1-5(2,3)4/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79);(H2,1,2,3,4)/t32-,33+,34+,36-,37-,38+,39-,40-,41-,42-,43+,45-,46-;32-,33-,35+,36+,37-,38+,39+,40+,41+,42-,44+,45+;/m01./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C111H196N32O30S
Molecular Weight 2491.05
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cell outer membrane inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hordeolum 3 D006726 ClinicalTrials
Eczema 3 D004485 ClinicalTrials

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Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
12.75
Nervous system disorders
12.75
General disorders and administration site conditions
11.41
Skin and subcutaneous tissue disorders
10.07
Injury, poisoning and procedural complications
8.72
Infections and infestations
8.05
Renal and urinary disorders
8.05
Respiratory, thoracic and mediastinal disorders
8.05
Vascular disorders
7.38
Immune system disorders
3.36
Gastrointestinal disorders
2.68

Cross References

Resources Reference
ChEMBL CHEMBL3989714
FDA SRS 19371312D4
CONTENTS