Compound Detail
CHEMBL1077284
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Basic Information
| ChEMBL ID | CHEMBL1077284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPDSHTNEKLQQIJ-ZJHFMPGASA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.86
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.12
IC50 1 meas. best 5.14
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Probable G-protein coupled receptor 132 CHEMBL3085618 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Kd | = | 2000.0 | nM | 5.7 | Binding affinity to PPARgamma | 22260081 |
| Unchecked | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of CRM1 interaction with HIV1 HA-tagged Rev in HeLa cells assessed as... | 20176483 |
| Probable G-protein coupled receptor 132 | EC50 | = | 7500.0 | nM | 5.12 | Agonist activity at human G2A expressed in CHO-K1 cells co-expressing human GNA1... | 38917049 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38917049 | 10.1021/acs.jmedchem.3c02164 | Probable G-protein coupled receptor 132 | 6 |
| 38917049 | 10.1021/acs.jmedchem.3c02164 | Unchecked | 2 |
| 20176483 | 10.1016/j.bmcl.2010.01.165 | Unchecked | 1 |
| 22260081 | 10.1021/jm101360s | Peroxisome proliferator-activated receptor gamma | 1 |
| 38917049 | 10.1021/acs.jmedchem.3c02164 | Guanine nucleotide-binding protein subunit alpha-11 | 1 |
Data from ChEMBL 36 via Core Engine