Compound Detail
CHEMBL93848
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Basic Information
| ChEMBL ID | CHEMBL93848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDJABWPMZKPOCN-JODANDAUSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.6
MW (Da)
6.43
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.29
Ki 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.29 | 7.29 | 51.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Ki | 7.04 | 7.04 | 92.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | Ki | 6.91 | 6.91 | 124.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 6.9 | 6.9 | 127.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | Ki | 6.76 | 6.76 | 172.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 6.72 | 6.72 | 192.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 51.0 | nM | 7.29 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alph... | - |
| Retinoic acid receptor RXR-alpha | Ki | = | 92.0 | nM | 7.04 | Inhibition of [3H]9-cis-RA binding to RXR alpha receptor | - |
| Retinoic acid receptor RXR-beta | Ki | = | 124.0 | nM | 6.91 | Inhibition of [3H]9-cis-RA binding to RXR beta receptor | - |
| Retinoic acid receptor RXR-beta | EC50 | = | 127.0 | nM | 6.9 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta | - |
| Retinoic acid receptor RXR-gamma | Ki | = | 172.0 | nM | 6.76 | Inhibition of [3H]9-cis-RA binding to RXR gamma receptor | - |
| Retinoic acid receptor RXR-gamma | EC50 | = | 192.0 | nM | 6.72 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamm... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor alpha | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor beta | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor gamma | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor RXR-alpha | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor RXR-beta | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor RXR-gamma | 3 |
Data from ChEMBL 36 via Core Engine