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Compound Detail

CHEMBL21241

GW7647
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CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL21241
Name GW7647
Phase Preclinical
Structure Type MOL
InChI Key PKNYXWMTHFMHKD-UHFFFAOYSA-N
12
Targets
64
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

502.8
MW (Da)
7.28
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug Chemical Probe

Extended Properties

Molecular Formula C29H46N2O3S
MW 502.77
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.46

Activity Summary

EC50 49 meas. best 9.22
IC50 7 meas. best 9.34
Kd 4 meas. best 9.0
Ki 4 meas. best 10.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 Ki 10.27 8.835 0.1 4
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 IC50 9.34 9.34 0.5 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 9.22 7.6902 0.6 42
Peroxisome proliferator-activated receptor alpha
CHEMBL2128
 EC50 9.0 9.0 1.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 Kd 9.0 6.8367 1.0 3
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 Kd 6.75 6.75 180.0 1
Pre-mRNA-processing factor 19
CHEMBL5058
 EC50 6.75 6.75 178.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 6.0 5.98 1000.0 2
Peroxisome proliferator-activated receptor gamma
CHEMBL2459
 EC50 5.89 5.89 1300.0 1
Peroxisome proliferator-activated receptor delta
CHEMBL2458
 EC50 5.54 5.54 2900.0 1
Unchecked
CHEMBL612545
 IC50 5.36 5.36 4400.0 1
Bile acid receptor
CHEMBL2047
 IC50 5.31 5.31 4910.0 1
Ubiquitin carboxyl-terminal hydrolase 1
CHEMBL1795087
 IC50 5.3 5.3 5000.0 1
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48
CHEMBL3430885
 IC50 5.3 5.3 5000.0 1
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 5.21 5.21 6200.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.1 5.0 7943.3 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha Ki = 0.0541 nM 10.27 Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARalpha LBD by ... 28799755
Peroxisome proliferator-activated receptor alpha IC50 = 0.46 nM 9.34 Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-D... 22939697
Peroxisome proliferator-activated receptor alpha EC50 = 0.6 nM 9.22 Activation of PPARalpha transfected in HEK293 cells after 18 hrs by firefly luci... 21800856
Peroxisome proliferator-activated receptor alpha EC50 = 0.89 nM 9.05 Agonist activity at human PPARalpha expressed in HEK293 cells by luciferase repo... 25305688
Peroxisome proliferator-activated receptor alpha EC50 = 1.0 nM 9.0 Agonist activity at human PPAR-alpha expressed in CHO-K1 cells by PathHunter ass... 35797110
Peroxisome proliferator-activated receptor alpha EC50 = 1.0 nM 9.0 Activation of murine PPAR alpha ligand binding domain 11354382
Peroxisome proliferator-activated receptor alpha Kd = 1.0 nM 9.0 Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assa... 23286787
Peroxisome proliferator-activated receptor alpha Ki = 1.2 nM 8.92 Binding affinity to PPARalpha (unknown origin) by TR-FRET assay 31128991
Peroxisome proliferator-activated receptor alpha EC50 = 1.4 nM 8.85 Agonist activity at PPARalpha (unknown origin) 35060744
Peroxisome proliferator-activated receptor alpha EC50 = 1.6 nM 8.8 Agonist activity at human PPARalpha transfected in african green monkey COS7 cel... 37243609
Peroxisome proliferator-activated receptor alpha EC50 = 1.8 nM 8.74 Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScr... 22582973
Peroxisome proliferator-activated receptor alpha EC50 = 2.0 nM 8.7 Agonist activity at human PPARalpha transfected in African green monkey COS-7 ce... 38522113
Peroxisome proliferator-activated receptor alpha EC50 = 3.0 nM 8.52 Agonist activity at PPARalpha (unknown origin) by Alpha Screen assay 31673308
Peroxisome proliferator-activated receptor alpha EC50 = 3.0 nM 8.52 Agonist activity at human PPAR-alpha 27652492
Peroxisome proliferator-activated receptor alpha EC50 = 5.0 nM 8.3 Agonist activity at PPARalpha (unknown origin) incubated for 3 to 16 hrs by path... 31312410
Peroxisome proliferator-activated receptor alpha EC50 = 5.4 nM 8.27 Agonist activity at GAL4-tagged PPARalpha-LBD (unknown origin) expressed in HEK2... 33142057
Peroxisome proliferator-activated receptor alpha EC50 = 5.7 nM 8.24 Agonist activity at human PPARalpha incubated for 22 to 24 hrs by luciferase ass... 37312852
Peroxisome proliferator-activated receptor alpha EC50 = 6.0 nM 8.22 In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alp... 11354382
Peroxisome proliferator-activated receptor alpha EC50 = 6.0 nM 8.22 Agonist activity at PPARalpha (unknown origin) 30296685
Peroxisome proliferator-activated receptor alpha EC50 = 6.3 nM 8.2 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4689842 HEK-293T 10
- 10.6019/CHEMBL4689842 Fibroblast 9
- 10.6019/CHEMBL4689842 U2OS 9
35089724 10.1021/acs.jmedchem.1c01542 Peroxisome proliferator-activated receptor alpha 8
31351846 10.1016/j.bmc.2019.07.032 Peroxisome proliferator-activated receptor alpha 7
34022528 10.1016/j.bmc.2021.116193 Peroxisome proliferator-activated receptor alpha 6
- 10.6019/CHEMBL5724696 TERT-RPE1 4
25022880 10.1016/j.bmcl.2014.05.058 Peroxisome proliferator-activated receptor alpha 4
24821375 10.1016/j.bmcl.2014.04.019 Peroxisome proliferator-activated receptor alpha 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
23137448 10.1016/j.ejmech.2012.10.019 Peroxisome proliferator-activated receptor alpha 3
23286787 10.1021/jm3013272 Peroxisome proliferator-activated receptor gamma 3
19791744 10.1021/jm900878u Peroxisome proliferator-activated receptor alpha 3
23102891 10.1016/j.bmcl.2012.09.111 Peroxisome proliferator-activated receptor alpha 3
24856059 10.1016/j.bmcl.2014.04.112 Peroxisome proliferator-activated receptor alpha 3
33142057 10.1021/acs.jmedchem.0c01555 Unchecked 3
21889235 10.1016/j.ejmech.2011.08.022 Peroxisome proliferator-activated receptor alpha 3
22582973 10.1021/jm300068n Peroxisome proliferator-activated receptor gamma 3
11354382 10.1016/s0960-894x(01)00188-3 Rattus norvegicus 3
20307981 10.1016/j.bmcl.2010.03.008 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine