CHEBI:143014 - ML240

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ChEBI Name ML240
ChEBI ID CHEBI:143014
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter TheOtherDave
Supplier Information
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Formula C23H20N6O
Net Charge 0
Average Mass 396.445
Monoisotopic Mass 396.16986
InChI InChI=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)
InChIKey NHAMBLRUUJAFOY-UHFFFAOYSA-N
SMILES N1=C(N2C(N)=NC=3C=CC=CC32)N=C(C=4C1=C(C=CC4)OC)NCC=5C=CC=CC5
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-(2-amino-1H-benzimidazol-1-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine ChEBI
2-(2-amino-1H-benzo[d]imidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine ChEBI
ML 240 ChEBI
ML-240 ChEBI
ML240 ChEBI
Registry Number Type Source
1346527-98-7 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
23316025 PubMed citation Europe PMC
24878061 PubMed citation Europe PMC
25377500 PubMed citation Europe PMC
Last Modified
06 February 2019