Compound Detail
CHEMBL1813011
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Basic Information
| ChEMBL ID | CHEMBL1813011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KACYCSASEXQENA-IBGZPJMESA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.67
ALogP
6
HBA
1
HBD
81.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 10.74 | 10.74 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 455800.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 220692.64 | nM | Rattus norvegicus |
| T1/2 | 7.4 | hr | Rattus norvegicus |
| Tmax | 0.667 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 0.018 | nM | 10.74 | Transactivation of human PPARgamma expressed in human HepG2 cells co-transfected... | 21450468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Rattus norvegicus | 76 |
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Mus musculus | 26 |
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Peroxisome proliferator-activated receptor alpha | 2 |
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Peroxisome proliferator-activated receptor gamma | 2 |
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine