Compound Detail
CHEMBL76313
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Basic Information
| ChEMBL ID | CHEMBL76313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITBZJOLQGJHZTG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.21
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.77
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | Kd | 7.77 | 7.77 | 17.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Kd | 7.77 | 7.77 | 17.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Kd | 6.87 | 6.87 | 136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 4.0 | nM | 8.4 | Transactivation potency for Retinoic acid receptor beta | - |
| Retinoic acid receptor gamma | EC50 | = | 4.0 | nM | 8.4 | Transactivation potency for Retinoic acid receptor gamma | - |
| Retinoic acid receptor beta | Kd | = | 17.0 | nM | 7.77 | Binding affinity for Retinoic acid receptor beta | - |
| Retinoic acid receptor gamma | Kd | = | 17.0 | nM | 7.77 | Binding affinity for Retinoic acid receptor gamma | - |
| Retinoic acid receptor alpha | Kd | = | 136.0 | nM | 6.87 | Binding affinity for Retinoic acid receptor alpha | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00435-6 | Retinoic acid receptor alpha | 2 |
| - | 10.1016/S0960-894X(97)00435-6 | Retinoic acid receptor beta | 2 |
| - | 10.1016/S0960-894X(97)00435-6 | Retinoic acid receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine