CHEBI:82666 - DH334(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name DH334(1+)
ChEBI ID CHEBI:82666
Definition An organic cation that is DH334 lacking the bromide couterion.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H26ClN2
Net Charge +1
Average Mass 425.97200
Monoisotopic Mass 425.17790
InChI InChI=1S/C28H26ClN2/c1-2-3-18-30-19-17-23-22-13-8-10-16-26(22)31(20-21-11-5-4-6-12-21)28(23)27(30)24-14-7-9-15-25(24)29/h4-17,19H,2-3,18,20H2,1H3/q+1
InChIKey OSCGJDFYBBWCSW-UHFFFAOYSA-N
SMILES CCCC[n+]1ccc2c(c1-c1ccccc1Cl)n(Cc1ccccc1)c1ccccc21
Roles Classification
Biological Role(s): EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing DH334(1+) (CHEBI:82666) has role antineoplastic agent (CHEBI:35610)
DH334(1+) (CHEBI:82666) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
DH334(1+) (CHEBI:82666) is a organic cation (CHEBI:25697)
Incoming DH334 (CHEBI:82662) has part DH334(1+) (CHEBI:82666)
IUPAC Name
9-benzyl-2-butyl-1-(2-chlorophenyl)-9H-β-carbolin-2-ium
Synonym Source
DH334 cation ChEBI
Last Modified
08 August 2014