Details of the Drug

General Information of Drug (ID: DMN0LP8)

Drug Name

Polymyxin B Sulfate

Synonyms

Aerosporin; Polimixina B; Polymixin B sulfate; Polymxin B sulfate; Polymyxin b; Polymyxine B; Polymyxinum B; Terramycin Ophthalmic; Polimixina B [INN-Spanish]; Polymyxin B Sulfate [USAN:JAN]; Polymyxin B, sulfate; Polymyxine B [INN-French]; Polymyxinum B [INN-Latin]; Aerosporin, PMB, Poly-RX,Polymyxin B sulphate; 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanamide

Indication

Disease Entry	ICD 11	Status	REF
Bacteremia	1A73	Approved	[1]
Blepharoconjunctivitis	N.A.	Approved	[1]
Corneal abrasion	NA06.4	Approved	[1]
Keratitis	N.A.	Approved	[1]
Pseudomonas infection	1B92	Approved	[2]
Urinary tract infection	GC08	Approved	[1]
Uveitis	9A96.Z	Investigative	[1]
------------------------------------------------------------------------------------


⏷ Show the Full List of Indication(s)

Therapeutic Class

Antibiotics

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
4

Molecular Weight

1301.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

ADMET Property

Clearance: The clearance of drug is 2.37 L/h [3]
Elimination: Urine collection in humans and animals show <5% of polymyxin B eliminated from the kidneys [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 9 - 11.5 hours [3]
Metabolism: The drug is metabolized via the kidney [4]

Chemical Identifiers

Formula: C56H100N16O17S
IUPAC Name: N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acid
Canonical SMILES: CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)C(C)O.OS(=O)(=O)O
InChI: InChI=1S/C56H98N16O13.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;1-5(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);(H2,1,2,3,4)
InChIKey: HFMDLUQUEXNBOP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5702105
CAS Number: 1405-20-5
TTD ID: D09OOV

Repurposed Drugs (RPD)

Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Dihydropteroate synthetase (Bact folP)	TT4ILYC	DHPS_ECOLI	Binder	[5]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Polymyxin B Sulfate FDA Label
2	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 064028.
3	A Review of the Clinical Pharmacokinetics of Polymyxin B. Antibiotics (Basel). 2019 Mar 22;8(1). pii: antibiotics8010031. doi: 10.3390/antibiotics8010031.
4	Soloway RD, Hofmann AF, Thomas PJ, Schoenfield LJ, Klein PD: Triketocholanoic (dehydrocholic) acid. Hepatic metabolism and effect on bile flow and biliary lipid secretion in man. J Clin Invest. 1973 Mar;52(3):715-24. doi: 10.1172/JCI107233.
5	Polymyxin B sulfate and colistin: old antibiotics for emerging multiresistant gram-negative bacteria. Ann Pharmacother. 1999 Sep;33(9):960-7.