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CHEBI:232865 - ABT-100

ChEBI IDCHEBI:232865
ChEBI NameABT-100
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC27H19F3N4O3
Net Charge0
Average Mass504.468
Monoisotopic Mass504.14093
SMILESCn1cncc1[C@](O)(COc1ccc(C#N)cc1-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C27H19F3N4O3/c1-34-17-33-15-25(34)26(35,21-7-2-18(13-31)3-8-21)16-36-24-11-4-19(14-32)12-23(24)20-5-9-22(10-6-20)37-27(28,29)30/h2-12,15,17,35H,16H2,1H3/t26-/m0/s1
InChIKeyHEUVRFNVTLGKMZ-SANMLTNESA-N
Roles Classification
Biological Role:
EC 2.5.1.58 (protein farnesyltransferase) inhibitor  An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein farnesyltransferase (EC 2.5.1.58), one of the three enzymes in the prenyltransferase group.
ChEBI Ontology
Outgoing Relation(s)
ABT-100 (CHEBI:232865) has role EC 2.5.1.58 (protein farnesyltransferase) inhibitor (CHEBI:64133)
ABT-100 (CHEBI:232865) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
4-[(2S)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile
Registry NumbersSources
CAS:450839-40-4SUBMITTER
Citations