Compound Detail
CHEMBL91979
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Basic Information
| ChEMBL ID | CHEMBL91979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWXJNLCQFQPZKN-MHWRWJLKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
6.36
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.63
Ki 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Ki | 7.16 | 7.16 | 69.2 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.63 | 6.63 | 235.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Ki | = | 69.2 | nM | 7.16 | Ability to displace [3H]9-cis-RA from Retinoid X receptor alpha in CV-1 cells | 15125928 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 235.0 | nM | 6.63 | Effective concentration required for agonistic activity in CV-1 cells expressing... | 15125928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125928 | 10.1016/j.bmcl.2004.03.073 | Retinoic acid receptor RXR-alpha | 5 |
| 15125928 | 10.1016/j.bmcl.2004.03.073 | Peroxisome proliferator-activated receptor gamma | 2 |
| 15125928 | 10.1016/j.bmcl.2004.03.073 | Retinoic acid receptor gamma | 1 |
| 15125928 | 10.1016/j.bmcl.2004.03.073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine