Compound Detail
CHEMBL510698
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL510698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRPJSHKMZHWJBE-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
277.7
MW (Da)
2.90
ALogP
4
HBA
1
HBD
85.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 8.33 | 6.9433 | 4.7 | 3 |
| BMDM CHEMBL4296525 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 5.53 | 5.53 | 2950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 4.7 | nM | 8.33 | Inverse agonist activity at human PPARgamma expressed in CHO cells co-expressing... | 36542958 |
| BMDM | IC50 | = | 67.0 | nM | 7.17 | Inhibition of osteoclastogenesis in C57BL/6J mouse Bone marrow macrophage cells ... | 39185622 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 320.0 | nM | 6.5 | Antagonist activity at PPAR gamma LBD (203 to 476 residues) (unknown origin) exp... | 39185622 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at human PPARgamma receptor expressed in Saccharomyces cerev... | 18329752 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 2950.0 | nM | 5.53 | Agonist activity at human PPARalpha expressed in CHO cells co-expressing GAL4-NH... | 36542958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36270630 | 10.1021/acs.jmedchem.2c01379 | Unchecked | 5 |
| 36542958 | 10.1016/j.bmc.2022.117130 | Peroxisome proliferator-activated receptor gamma | 4 |
| 39185622 | 10.1021/acs.jmedchem.4c01377 | Peroxisome proliferator-activated receptor gamma | 2 |
| 36542958 | 10.1016/j.bmc.2022.117130 | Peroxisome proliferator-activated receptor alpha | 2 |
| 35301139 | 10.1016/j.bmcl.2022.128676 | Peroxisome proliferator-activated receptor gamma | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | Peroxisome proliferator-activated receptor gamma | 1 |
| 39291000 | 10.1021/acsmedchemlett.4c00404 | Peroxisome proliferator-activated receptor gamma | 1 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | HuP-T4 | 1 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | BFTC-905 | 1 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | HT1197 | 1 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | RT-112 | 1 |
| 18329752 | 10.1016/j.ejmech.2008.01.032 | Peroxisome proliferator-activated receptor gamma | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 23891183 | 10.1016/j.bmcl.2013.07.005 | Unchecked | 1 |
| 23891183 | 10.1016/j.bmcl.2013.07.005 | ADMET | 1 |
| 23891183 | 10.1016/j.bmcl.2013.07.005 | Hepatitis C virus | 1 |
| 23891183 | 10.1016/j.bmcl.2013.07.005 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine