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Compound Detail

CHEMBL38943

GW501516
🧪 Phase II
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🧪 Phase II
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38943
Name GW501516
Phase Phase II
Structure Type MOL
InChI Key YDBLKRPLXZNVNB-UHFFFAOYSA-N

Known Names

Cardarine GSK-516 GW-1516 Gw-501516 Gw501516
8
Targets
109
Activities
3
Assay Types
12
PK Parameters
20
Publications
5
Known Names
1
Indications
1
Mechanisms

Molecular Properties

453.5
MW (Da)
6.20
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C21H18F3NO3S2
MW 453.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.68

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Peroxisome proliferator-activated receptor delta agonist AGONIST Peroxisome proliferator-activated receptor delta ✓ ✓

Indications

Lipid Metabolism Disorders

Activity Summary

EC50 90 meas. best 10.52
IC50 13 meas. best 9.0
Ki 6 meas. best 10.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 10.52 10.335 0.0 2
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 Ki 10.32 8.635 0.0 6
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 9.74 8.4014 0.2 44
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 IC50 9.0 8.2317 1.0 6
L6
CHEMBL614793
 EC50 8.22 8.22 6.0 1
Peroxisome proliferator-activated receptor delta
CHEMBL2458
 EC50 7.7 7.2286 20.0 7
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 6.64 5.7706 229.0 18
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 IC50 6.33 5.8575 463.0 4
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 6.1 5.5217 800.0 12
Peroxisome proliferator-activated receptor gamma
CHEMBL2459
 EC50 6.0 5.64 1000.0 3
Peroxisome proliferator-activated receptor alpha
CHEMBL2128
 EC50 5.6 5.0067 2500.0 3
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 IC50 5.2 5.2 6309.6 3

Pharmacokinetic Data

Parameter Value Units Species
AUC 13514.6 ng.hr.mL-1 Mus musculus
AUC 72000.0 ng.hr.mL-1 Rattus norvegicus
AUC 613000.0 ng.hr.mL-1 Rattus norvegicus
AUC 2270000.0 ng.hr.mL-1 Rattus norvegicus
AUC 41.8 ng/g.hr Mus musculus
AUC 2330.0 ng/g.hr Mus musculus
CL 7.0 mL.min-1.kg-1 Rattus norvegicus
Cmax 1001.08 nM Rattus norvegicus
Cmax 3900.0 nM Mus musculus
F 136.0 % Rattus norvegicus
T1/2 10.2 hr Rattus norvegicus
T1/2 4.4 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 0.03 nM 10.52 Induction of [14C]oleic acid oxidation in a human myotubes after 4 days by beta ... 22051054
Peroxisome proliferator-activated receptor delta Ki = 0.048 nM 10.32 Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARdelta LBD by ... 28799755
Unchecked EC50 = 0.07 nM 10.15 Induction of [14C]-oleic acid oxidation in human differentiated skeletal muscle ... 20403648
Peroxisome proliferator-activated receptor delta EC50 = 0.18 nM 9.74 Agonist activity at human PPARbeta expressed in HEK293 cells by luciferase repor... 25305688
Peroxisome proliferator-activated receptor delta EC50 = 0.5 nM 9.3 Agonist activity at pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain... 25768705
Peroxisome proliferator-activated receptor delta EC50 = 0.5 nM 9.3 Agonist activity at PPARdelta (unknown origin) 35060744
Peroxisome proliferator-activated receptor delta EC50 = 0.6 nM 9.22 Agonist activity at human PPARdelta transfected in african green monkey COS7 cel... 37243609
Peroxisome proliferator-activated receptor delta Ki = 0.82 nM 9.09 Binding affinity to PPARdelta (unknown origin) by TR-FRET assay 31128991
Peroxisome proliferator-activated receptor delta IC50 = 1.0 nM 9.0 Binding affinity for human PPAR delta receptor 12699745
Peroxisome proliferator-activated receptor delta Ki = 1.0 nM 9.0 Binding affinity to PPARdelta (unknown origin) assessed as inhibition constant b... 36475432
Peroxisome proliferator-activated receptor delta EC50 = 1.0 nM 9.0 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -
Peroxisome proliferator-activated receptor delta EC50 = 1.0 nM 9.0 Agonist activity at human PPAR-delta assessed as receptor transactivation by mea... 36840990
Peroxisome proliferator-activated receptor delta EC50 = 1.0 nM 9.0 Agonist activity at PPARdelta (unknown origin) 32539376
Peroxisome proliferator-activated receptor delta EC50 = 1.0 nM 9.0 Agonist potency at PPARdelta in CV1 cells by cell based transient transfection a... 17243659
Peroxisome proliferator-activated receptor delta EC50 = 1.0 nM 9.0 Activity at PPARbeta/delta by luciferase reporter gene transactivation assay in ... 16797985
Peroxisome proliferator-activated receptor delta EC50 = 1.0 nM 9.0 Maximum transcriptional activation of human PPAR delta receptor 12699745
Peroxisome proliferator-activated receptor delta EC50 = 1.0 nM 9.0 Agonist activity at human PPARdelta transfected in African green monkey COS-7 ce... 38522113
Peroxisome proliferator-activated receptor delta EC50 = 1.2 nM 8.92 Agonist activity at human PPARdelta expressed in HepG2 cells co-transfected with... 21215640
Peroxisome proliferator-activated receptor delta EC50 = 1.2 nM 8.92 Transactivation of human PPARdelta expressed in african green monkey CV1 cells b... 22579420
Peroxisome proliferator-activated receptor delta EC50 = 1.4 nM 8.85 Competitive binding affinity to GST-tagged human PPARdelta LBD incubated for 1 t... 31806266

Literature References

PubMed DOI Target Context # Activities
29275935 10.1016/j.bmcl.2017.11.006 Rattus norvegicus 11
17343371 10.1021/jm061202u Mus musculus 8
- 10.6019/CHEMBL5303304 HEK-293T 8
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor delta 6
- 10.6019/CHEMBL5303304 Fibroblast 6
17343371 10.1021/jm061202u Rattus norvegicus 5
- 10.6019/CHEMBL5303304 U2OS 5
19928766 10.1021/jm9007399 Mus musculus 5
36840990 10.1016/j.bmc.2023.117215 Peroxisome proliferator-activated receptor delta 5
36840990 10.1016/j.bmc.2023.117215 Peroxisome proliferator-activated receptor alpha 5
29275935 10.1016/j.bmcl.2017.11.006 Peroxisome proliferator-activated receptor delta 5
36840990 10.1016/j.bmc.2023.117215 Peroxisome proliferator-activated receptor gamma 5
31128991 10.1016/j.bmc.2019.05.028 Unchecked 5
- 10.6019/CHEMBL5724696 TERT-RPE1 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
19464171 10.1016/j.bmcl.2009.04.151 Rhesus monkey 4
35063634 10.1016/j.bmcl.2022.128567 Peroxisome proliferator-activated receptor delta 4
17343371 10.1021/jm061202u Peroxisome proliferator-activated receptor delta 4
37552807 10.1021/acs.jmedchem.3c00932 Peroxisome proliferator-activated receptor delta 4
37552807 10.1021/acs.jmedchem.3c00932 Peroxisome proliferator-activated receptor alpha 4

Data from ChEMBL 36 via Core Engine