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CHEBI:140908 - GANT61

Default Structure
ChEBI IDCHEBI:140908
ChEBI NameGANT61
Stars
DefinitionAn aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor.
Last Modified1 June 2018
Submittersabrina, zfin
DownloadsMolfile
FormulaC27H35N5
Net Charge0
Average Mass429.612
Monoisotopic Mass429.28925
SMILESCN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1
InChIInChI=1S/C27H35N5/c1-29(2)25-12-7-5-10-23(25)20-31-18-9-19-32(27(31)22-14-16-28-17-15-22)21-24-11-6-8-13-26(24)30(3)4/h5-8,10-17,27H,9,18-21H2,1-4H3
InChIKeyKVQOGDQTWWCZFX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
glioma-associated oncogene inhibitor  An inhibitor of any of the glioma-associated oncogene (GLI) proteins.
Hedgehog signaling pathway inhibitor  Any pathway inhibitor that inhibits the Hedgehog signalling pathway.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
GANT61 (CHEBI:140908) has role antineoplastic agent (CHEBI:35610)
GANT61 (CHEBI:140908) has role apoptosis inducer (CHEBI:68495)
GANT61 (CHEBI:140908) has role glioma-associated oncogene inhibitor (CHEBI:140922)
GANT61 (CHEBI:140908) has role Hedgehog signaling pathway inhibitor (CHEBI:140921)
GANT61 (CHEBI:140908) is a aminal (CHEBI:35412)
GANT61 (CHEBI:140908) is a pyridines (CHEBI:26421)
GANT61 (CHEBI:140908) is a substituted aniline (CHEBI:48975)
GANT61 (CHEBI:140908) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2-({3-[2-(dimethylamino)benzyl]-2-(pyridin-4-yl)tetrahydropyrimidin-1(2H)-yl}methyl)-N,N-dimethylaniline
Synonyms  Source
GANT-61ChEBI
NSC 136476SUBMITTER
Registry NumbersSources
CAS:500579-04-4SUBMITTER
Citations