GW501516

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7I2HA1NU22

Structure
InChI Key YDBLKRPLXZNVNB-UHFFFAOYSA-N
Smile Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
InChI
InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H18F3NO3S2
Molecular Weight 453.51
AlogP 6.2
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 59.42
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Peroxisome proliferator-activated receptor delta agonist PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
229-10000 463-1995 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 2
0-85 1-126 - 0-6 94
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
800-10000 6310-6310 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lipid Metabolism Disorders 2 D052439 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 73726
ChEMBL CHEMBL38943
DrugBank DB05416
EPA CompTox DTXSID3041037
FDA SRS 7I2HA1NU22
Guide to Pharmacology 2687
PDB 7T1
SureChEMBL SCHEMBL68714
ZINC ZINC000001549989
CONTENTS