abafungin
CHEBI:76005
·resolve ·ANTIFUNGAL
·EXACT
SEEDED
A member of the class of guanidines that is tetrahydropyrimidin-2(1H)-imine in which the hydrogen of the imino group is replaced by a thiazol-2-yl group which in turn is substituted by a 2-(2,4-dimethylphenoxy)phenyl group at position 4. It has been used for the topical treatment of fungal nail infections. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C21H22N4OS |
|---|
| Charge | 0 |
|---|
| Average mass | 378.501 Da |
|---|
| Monoisotopic mass | 378.15143 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | TYBHXIFFPVFXQW-UHFFFAOYSA-N |
|---|
SMILES
Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1
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)
Also called
- Abasol (BRAND_NAME)— chebi
- abafungina (INN)— chebi
- abafungine (INN)— chebi
- abafunginum (INN)— chebi
- N-{4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl}tetrahydropyrimidin-2(1H)-imine (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:129639-79-8
- patent:CN101372486
- patent:CN101396363
- patent:CN101845044
- patent:CN1969874
- patent:WO2009043307
- reaxys:11337934
- wikipedia.en:Abafungin
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:76005 |
abafungin |
antibioticmech:chebi-571ec8f7d9 |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.