CHEBI:101064 - Ro 48-8071

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ChEBI Name Ro 48-8071
Definition An aromatic ketone that is 2-fluoro-4'-bromobenzophenone in which the hydrogen at position 4 (meta to the fluoro group) is replaced by a 6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy group. An inhibitor of lanosterol synthase.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H27BrFNO2
Net Charge 0
Average Mass 448.369
Monoisotopic Mass 447.12092
InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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): EC (lanosterol synthase) inhibitor
An EC 5.4.99.* (intramolecular transferase transferring other groups) inhibitor that interferes with the action of lanosterol synthase (EC
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ro 48-8071 (CHEBI:101064) has functional parent benzophenone (CHEBI:41308)
Ro 48-8071 (CHEBI:101064) has role antineoplastic agent (CHEBI:35610)
Ro 48-8071 (CHEBI:101064) has role EC (lanosterol synthase) inhibitor (CHEBI:101086)
Ro 48-8071 (CHEBI:101064) is a aromatic ether (CHEBI:35618)
Ro 48-8071 (CHEBI:101064) is a aromatic ketone (CHEBI:76224)
Ro 48-8071 (CHEBI:101064) is a bromobenzenes (CHEBI:37149)
Ro 48-8071 (CHEBI:101064) is a monofluorobenzenes (CHEBI:83575)
Ro 48-8071 (CHEBI:101064) is a olefinic compound (CHEBI:78840)
Ro 48-8071 (CHEBI:101064) is a tertiary amino compound (CHEBI:50996)
Ro 48-8071 (CHEBI:101064) is conjugate base of Ro 48-8071(1+) (CHEBI:101224)
Incoming Ro 48-8071(1+) (CHEBI:101224) is conjugate acid of Ro 48-8071 (CHEBI:101064)
Registry Numbers Types Sources
161582-11-2 CAS Registry Number ChemIDplus
9437469 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24486573 PubMed citation Europe PMC
24878988 PubMed citation Europe PMC
25051231 PubMed citation Europe PMC
25761781 PubMed citation Europe PMC
26033687 PubMed citation Europe PMC
26123692 PubMed citation Europe PMC
Last Modified
31 March 2016