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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22N4OS
Molecular Weight 378.491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABAFUNGIN

SMILES

CC1=CC(C)=C(OC2=C(C=CC=C2)C3=CSC(N=C4NCCCN4)=N3)C=C1

InChI

InChIKey=TYBHXIFFPVFXQW-UHFFFAOYSA-N
InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)

HIDE SMILES / InChI

Molecular Formula C21H22N4OS
Molecular Weight 378.491
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Abafungin is a broad-spectrum antifungal agent with a novel mechanism of action for the treatment of dermatomycoses and onychomycosis. Abafungin acts through inhibition of transmethylation at the C-24 position of the sterol side chain, catalyzed by the enzyme sterol-C-24-methyltransferase. Abasol is a topical cream formulation of abafungin seeking approval in 2008 in European markets.

Originator

Curator's Comment: # Bayer AG, Leverkusen, Germany

Approval Year

PubMed

PubMed

TitleDatePubMed
Gateways to clinical trials.
2010-04-13
Modes of action of the new arylguanidine abafungin beyond interference with ergosterol biosynthesis and in vitro activity against medically important fungi.
2008
Patents

Sample Use Guides

In formulated creams and gels, abafungin 1% to 30%, applied once daily for 1 to 3 months
Route of Administration: Topical
MICs were determined using Kimmig’s and T3 media for dermatophytes, and YNB glucose and T3 medium for yeast-like fungi in physiological saline or in demineralized water. MIC's between 0.06 ug/mL and 1.0 ug/mL depending on species. The non-growing dermatophytes and yeastlike fungi were killed with Abafungin concentrations
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:24:40 GMT 2025
Edited
by admin
on Mon Mar 31 18:24:40 GMT 2025
Record UNII
11DI31LWXF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY W 6341
Preferred Name English
ABAFUNGIN
INN  
INN  
Official Name English
BAY-W-6341
Code English
abafungin [INN]
Common Name English
HEXAHYDRO-2-((4-(O-(2,4-XYLYLOXY)PHENYL)-2-THIAZOLYL)IMINO)PYRIMIDINE
Common Name English
BAY-W-6341-
Code English
Classification Tree Code System Code
NCI_THESAURUS C514
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
Code System Code Type Description
CHEBI
76005
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
CAS
129639-79-8
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
EVMPD
SUB07357MIG
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
INN
7453
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
SMS_ID
100000082342
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
ChEMBL
CHEMBL2105914
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
NCI_THESAURUS
C72951
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID60869776
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
WIKIPEDIA
ABAFUNGIN
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
DRUG BANK
DB06395
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
MESH
C534167
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
PUBCHEM
159326
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
FDA UNII
11DI31LWXF
Created by admin on Mon Mar 31 18:24:40 GMT 2025 , Edited by admin on Mon Mar 31 18:24:40 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY