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CHEBI:143014 - ML240

ChEBI IDCHEBI:143014
ChEBI NameML240
Stars
DefinitionA member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP).
Last Modified6 February 2019
SubmitterTheOtherDave
DownloadsMolfile
FormulaC23H20N6O
Net Charge0
Average Mass396.454
Monoisotopic Mass396.16986
SMILESCOc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12
InChIInChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28)
InChIKeyNHAMBLRUUJAFOY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ML240 (CHEBI:143014) has role antineoplastic agent (CHEBI:35610)
ML240 (CHEBI:143014) is a aromatic amine (CHEBI:33860)
ML240 (CHEBI:143014) is a aromatic ether (CHEBI:35618)
ML240 (CHEBI:143014) is a benzimidazoles (CHEBI:22715)
ML240 (CHEBI:143014) is a primary amino compound (CHEBI:50994)
ML240 (CHEBI:143014) is a quinazolines (CHEBI:38530)
ML240 (CHEBI:143014) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
2-(2-amino-1H-benzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
Synonyms  Source
2-(2-amino-1H-benzo[d]imidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amineChEBI
ML240ChEBI
2-(2-amino-1H-benzimidazol-1-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamineChEBI
ML-240ChEBI
ML 240ChEBI
Registry NumbersSources
CAS:1346527-98-7SUBMITTER
Citations