EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:757922 - mol-4239

Default Structure
ChEBI IDCHEBI:757922
ChEBI Namemol-4239
Stars
Last Modified30 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC19H16BrN3O
Net Charge0
Average Mass382.261
Monoisotopic Mass381.04767
SMILESC[C@H](NC(=O)/C(C#N)=C/C=C/c1cccc(Br)n1)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c1-14(15-7-3-2-4-8-15)22-19(24)16(13-21)9-5-10-17-11-6-12-18(20)23-17/h2-12,14H,1H3,(H,22,24)/b10-5+,16-9+/t14-/m0/s1
InChIKeyIVAUEQVCSQZMGV-QIUCFAMLSA-N
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antipsoriatic  A drug used to treat psoriasis.
ChEBI Ontology
Outgoing Relation(s)
mol-4239 (CHEBI:757922) has role antineoplastic agent (CHEBI:35610)
mol-4239 (CHEBI:757922) has role antipsoriatic (CHEBI:50748)
mol-4239 (CHEBI:757922) is a chloropyridine (CHEBI:39173)
Synonyms  Source
MOL-4239ChEMBL
MOL4239ChEMBL
WP-1220ChEMBL
WP1220ChEMBL