Details of the Drug

General Information of Drug (ID: DMR3S9B)

Drug Name

Tyloxapol

Synonyms

Alevaire; Enuclene; Macrocyclon; Oxirane; Superinone; Superiuone; Tiloxapol; Tyloxapolum; Tyloxypal; Component of Alevaire; Superiuone [French]; Triton WR 1339; P-Isooctylpolyoxyethylenephenol formaldehyde polymer; Tiloxapol [INN-Spanish]; Triton A-20; Triton WR-1339; Tyloxapolum [INN-Latin]; Oxyethylated tertiary octyl-phenol-formaldehyde polymer; Triton W.R.1339; Tyloxapol [USAN:BAN:INN]; Ethylene oxide-formaldehyde-p-octylphenol copolymer; P-(1,1,3,3-Tetramethylbutyl)phenol polymer with ethylene oxide and formaldehyde; Formaldehyde, polymer with oxirane and 4-(1,1,3,3-tetra methylbutyl)phenol; Formaldehyde, polymer with oxirane and 4-(1,1,3,3-tetramethylbutyl)phenol; Phenol, 4-(1,1,3,3-tetramethylbutyl)-, polymer with formaldehyde and oxirane; Phenol, p-(1,1,3,3-tetramethylbutyl)-, polymer with ethylene oxide and formaldehyde; 4-(1,1,3,3-Tetramethylbutyl)phenol, polymer with formaldehyde & oxirane; 4-(1,1,3,3-Tetramethylbutyl)phenol, polymer with formaldehyde oxirane; 4-(1,1,3,3-tetramethylbutyl)phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol

Indication

Disease Entry	ICD 11	Status	REF
Congenital alveolar dysplasia	N.A.	Approved	[1]
Cystic fibrosis	CA25	Terminated	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

280.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C17H28O3
IUPAC Name: formaldehyde;oxirane;4-(2,4,4-trimethylpentan-2-yl)phenol
Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1
InChI: InChI=1S/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2
InChIKey: MDYZKJNTKZIUSK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 71388
ChEBI ID: CHEBI:141517
CAS Number: 25301-02-4
DrugBank ID: DB06439
TTD ID: D00ARN

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nuclear factor NF-kappa-B (NFKB)	TTSXVID	NFKB1_HUMAN ; NFKB2_HUMAN ; TF65_HUMAN ; RELB_HUMAN ; REL_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Tyloxapol FDA Label
2	Tyloxapol inhibits NF-kappa B and cytokine release, scavenges HOCI, and reduces viscosity of cystic fibrosis sputum. American Journal of Respiratory and Critical Care Medicine. 10/1996; 154(3 Pt 1):783-8.
3	Study of influence of additives of tyloxapol on the chromatographic characteristics of the model compounds: the comparative characterization of micellar mobile phases of tyloxapol and Triton X-100. Biomed Chromatogr. 2009 Jul;23(7):700-6.