CHEBI:95074 - UNC0638

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ChEBI Name UNC0638
ChEBI ID CHEBI:95074
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H47N5O2
Net Charge 0
Average Mass 509.739
Monoisotopic Mass 509.37298
InChI InChI=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)
InChIKey QOECJCJVIMVJGX-UHFFFAOYSA-N
SMILES COC1=C(OCCCN2CCCC2)C=C2N=C(N=C(NC3CCN(CC3)C(C)C)C2=C1)C1CCCCC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antiviral agent
A substance that destroys or inhibits replication of viruses.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-cyclohexyl-6-methoxy-N-(1-propan-2-yl-4-piperidinyl)-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine ChEBI
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine ChEBI
2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamin ChEBI
2-cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy) quinazolin-4-amine ChEBI
UNC 0638 ChEBI
UNC-0638 ChEBI
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Registry Number Type Source
1255580-76-7 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
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Last Modified
08 May 2024