Details of the Drug

General Information of Drug (ID: DM09GSW)

Drug Name

Abafungin

Synonyms

Abasol; W-634; YP-006; YP-007; Abafungin (gel formulation), York Pharma; Abafungin (cream, dermatomycosis), York Pharma; Abafungin (gel formulation, onychomycosis), York Pharma; Abafungin (pessary, vaginal candidiasis), York Pharma

Indication

Disease Entry	ICD 11	Status	REF
Fungal infection	1F29-1F2F	Discontinued in Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

378.5

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C21H22N4OS
IUPAC Name: 4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
Canonical SMILES: CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C
InChI: 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)
InChIKey: TYBHXIFFPVFXQW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 159326
ChEBI ID: CHEBI:76005
CAS Number: 129639-79-8
DrugBank ID: DB06395
TTD ID: D08MTG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Cytochrome P450 51 (Candi ERG11)	TTTSOUD	CP51_CANAL	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800022887)
2	Upregulation of sterol C14-demethylase expression in Trypanosoma cruzi treated with sterol biosynthesis inhibitors. Mol Biochem Parasitol. 2005 Nov;144(1):68-75.