Compound Detail
CHEMBL349935
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Basic Information
| ChEMBL ID | CHEMBL349935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIPSRDWDLVRJIU-UXBLZVDNSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
6.52
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Kd 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | Kd | 7.44 | 7.44 | 36.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Kd | 6.87 | 6.87 | 136.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | IC50 | = | 3.0 | nM | 8.52 | Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma | 11277515 |
| Retinoic acid receptor beta | Kd | = | 4.0 | nM | 8.4 | Binding affinity towards retinoic acid receptor beta was determined using [3H]AT... | 11277515 |
| Retinoic acid receptor gamma | Kd | = | 36.0 | nM | 7.44 | Binding affinity towards retinoic acid receptor gamma was determined using [3H]A... | 11277515 |
| Retinoic acid receptor beta | IC50 | = | 40.0 | nM | 7.4 | Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta | 11277515 |
| Retinoic acid receptor alpha | Kd | = | 136.0 | nM | 6.87 | Binding affinity towards retinoic acid receptor alpha was determined using [3H]A... | 11277515 |
| Retinoic acid receptor alpha | IC50 | = | 220.0 | nM | 6.66 | Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha | 11277515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277515 | 10.1016/s0960-894x(01)00058-0 | Retinoic acid receptor alpha | 3 |
| 11277515 | 10.1016/s0960-894x(01)00058-0 | Retinoic acid receptor beta | 3 |
| 11277515 | 10.1016/s0960-894x(01)00058-0 | Retinoic acid receptor gamma | 3 |
Data from ChEMBL 36 via Core Engine