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CHEBI:231658 - PF-06409577

Default Structure
ChEBI IDCHEBI:231658
ChEBI NamePF-06409577
Stars
DefinitionA chloroindole that is 6-chloro-1H-indole substituted by carboxy and 4-(1-hydroxycyclobutyl)phenyl groups at positions 3 and 5, respectively. It is a potent and selective allosteric activator of AMPK and a potential treatment for diabetic nephropathy.
Last Modified19 August 2024
Submitterruixy
DownloadsMolfile
FormulaC19H16ClNO3
Net Charge0
Average Mass341.794
Monoisotopic Mass341.08187
SMILESO=C(O)c1cnc2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12
InChIInChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
InChIKeyFHQXLWCFSUSXBF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator  Any compound that binds to and activates the enzyme [hydroxymethylglutaryl-CoA reductase (NADPH)] kinase (EC 2.7.11.31).
Applications:
nephroprotective agent  Any protective agent that is able to prevent damage to the kidney.
antiatherosclerotic agent  A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
PF-06409577 (CHEBI:231658) has role antiatherosclerotic agent (CHEBI:145947)
PF-06409577 (CHEBI:231658) has role antineoplastic agent (CHEBI:35610)
PF-06409577 (CHEBI:231658) has role EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator (CHEBI:85053)
PF-06409577 (CHEBI:231658) has role nephroprotective agent (CHEBI:76595)
PF-06409577 (CHEBI:231658) is a benzenes (CHEBI:22712)
PF-06409577 (CHEBI:231658) is a chloroindole (CHEBI:52508)
PF-06409577 (CHEBI:231658) is a cyclobutanes (CHEBI:156473)
PF-06409577 (CHEBI:231658) is a indolecarboxylic acid (CHEBI:38610)
PF-06409577 (CHEBI:231658) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
Synonyms  Source
6-chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acidSUBMITTER
PF 06409577SUBMITTER
PF06409577ChEBI
Manual XrefsDatabases
6VTPDBeChem
HMDB0244646HMDB
Registry NumbersSources
CAS:1467057-23-3SUBMITTER
Citations