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CHEBI:95074 - UNC0638

ChEBI IDCHEBI:95074
ChEBI NameUNC0638
Stars
DefinitionA member of the class of quinazolines that is quinazoline substituted by cyclohexyl, [1-(propan-2-yl)piperidin-4-yl]amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It inhibits G9a and GLP histone methyltransferase activity (IC50 = <15 nM and <20 nM, respectively).
Last Modified11 March 2025
DownloadsMolfile
FormulaC30H47N5O2
Net Charge0
Average Mass509.739
Monoisotopic Mass509.37298
SMILESCOc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
InChIKeyQOECJCJVIMVJGX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
UNC0638 (CHEBI:95074) has role antineoplastic agent (CHEBI:35610)
UNC0638 (CHEBI:95074) has role antiviral agent (CHEBI:22587)
UNC0638 (CHEBI:95074) is a aminopiperidine (CHEBI:48588)
UNC0638 (CHEBI:95074) is a aromatic ether (CHEBI:35618)
UNC0638 (CHEBI:95074) is a pyrrolidines (CHEBI:38260)
UNC0638 (CHEBI:95074) is a quinazolines (CHEBI:38530)
UNC0638 (CHEBI:95074) is a secondary amino compound (CHEBI:50995)
UNC0638 (CHEBI:95074) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2-cyclohexyl-6-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine
Synonyms  Source
2-cyclohexyl-6-methoxy-N-(1-propan-2-yl-4-piperidinyl)-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamineChEBI
UNC-0638ChEBI
UNC 0638ChEBI
2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinaminChEBI
2-cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy) quinazolin-4-amineChEBI
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amineChEBI
Manual XrefsDatabases
LSM-6325LINCS
CIQPDBeChem
Registry NumbersSources
CAS:1255580-76-7ChEBI
Citations