EMBL-EBI | Chemical Biology Resources | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:748440 - dnk333

Default Structure
ChEBI IDCHEBI:748440
ChEBI Namednk333
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC27H25Cl2F6N3O3
Net Charge0
Average Mass624.409
Monoisotopic Mass623.11772
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1
InChIKeyBHCJHYIMNHXLOM-WVDRJWPYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
ChEBI Ontology
Outgoing Relation(s)
dnk333 (CHEBI:748440) has role antispasmodic drug (CHEBI:53784)
dnk333 (CHEBI:748440) has role dermatologic drug (CHEBI:50177)
dnk333 (CHEBI:748440) is a N-acyl-amino acid (CHEBI:51569)
Synonym  Source
Dnk333ChEMBL
Citations