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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.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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.
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