Compound Detail
CHEMBL36768
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Basic Information
| ChEMBL ID | CHEMBL36768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBUHKLGVLUHYJL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
6.55
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Ki | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | Ki | = | 2.0 | nM | 8.7 | Binding affinity to retinoic acid receptor (RAR) gamma using [3H]CD 367 as radio... | 8544175 |
| Retinoic acid receptor beta | Ki | = | 3.0 | nM | 8.52 | Binding affinity to retinoic acid receptor beta using [3H]CD 367 as radioligand | 8544175 |
| Retinoic acid receptor alpha | Ki | = | 5.3 | nM | 8.28 | Binding affinity to retinoic acid receptor alpha using [3H]CD 367 as radioligand | 8544175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2738885 | 10.1021/jm00127a018 | Unchecked | 3 |
| 2738885 | 10.1021/jm00127a018 | Oryctolagus cuniculus | 3 |
| 2738885 | 10.1021/jm00127a018 | F9 | 2 |
| 8544175 | 10.1021/jm00026a006 | Retinoic acid receptor alpha | 1 |
| 8544175 | 10.1021/jm00026a006 | Retinoic acid receptor beta | 1 |
| 8544175 | 10.1021/jm00026a006 | Retinoic acid receptor gamma | 1 |
| 8544175 | 10.1021/jm00026a006 | F9 | 1 |
| 2738885 | 10.1021/jm00127a018 | Ornithine decarboxylase | 1 |
| 2738885 | 10.1021/jm00127a018 | NON-PROTEIN TARGET | 1 |
| 2738885 | 10.1021/jm00127a018 | Cellular retinoic acid-binding protein 1 | 1 |
| 8057279 | 10.1021/jm00041a008 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine