CHEBI:139579 - AMPK activator PT 1

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ChEBI Name AMPK activator PT 1
ChEBI ID CHEBI:139579
Definition A member of the class of furans that in which the furan ring is substituted by a (2-amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl group at position 2 and a 4,5-dimethyl-2-nitrophenyl group at position 5, and i which the amino substituent of the thiazolone has been substituted by a 3-carboxy-4-chlorophenyl group. It is a direct activator of the α-subunit of AMP-activated protein kinase (5' adenosine monophosphate-activated protein kinase, AMPK).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ceri
Supplier Information
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Formula C23H16ClN3O6S
Net Charge 0
Average Mass 497.910
Monoisotopic Mass 497.04483
InChI InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)
InChIKey RTHRCOIONCZINZ-UHFFFAOYSA-N
SMILES C(=C1C(N=C(S1)NC=2C=C(C(=CC2)Cl)C(=O)O)=O)(C=3OC(=CC3)C4=CC(=C(C=C4[N+]([O-])=O)C)C)[H]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): protein kinase agonist
An agonist that selectively binds to and activates a protein kinase receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing AMPK activator PT 1 (CHEBI:139579) has role protein kinase agonist (CHEBI:64106)
AMPK activator PT 1 (CHEBI:139579) is a 1,3-thiazoles (CHEBI:38418)
AMPK activator PT 1 (CHEBI:139579) is a C-nitro compound (CHEBI:35716)
AMPK activator PT 1 (CHEBI:139579) is a aminobenzoic acid (CHEBI:22495)
AMPK activator PT 1 (CHEBI:139579) is a biaryl (CHEBI:64459)
AMPK activator PT 1 (CHEBI:139579) is a furans (CHEBI:24129)
AMPK activator PT 1 (CHEBI:139579) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name
2-chloro-5-[(5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoic acid
Synonyms Sources
2-Chloro-5-[[5-[[5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-4-oxo-2-thiazolyl]amino]benzoic acid SUBMITTER
PT 1 ChEBI
Manual Xref Database
5753734 PubChem
View more database links
Registry Number Type Source
331002-70-1 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
18321858 PubMed citation Europe PMC
25868658 PubMed citation Europe PMC
Last Modified
14 February 2018
General Comment
2018-02-12 The stereochemistry of the double bond that is exocyclic to the thiazole ring is not defined.