Compound Detail
CHEMBL3907274
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Basic Information
| ChEMBL ID | CHEMBL3907274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPLVJXMWFYWKAU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
6.21
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | Kd | 9.6 | 9.6 | 0.2 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Kd | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | Kd | = | 0.25 | nM | 9.6 | Activation of RARgamma (unknown origin) expressed in human HeLa cells co-express... | - |
| Retinoic acid receptor beta | Kd | = | 4.0 | nM | 8.4 | Activation of RARbeta (unknown origin) expressed in human HeLa cells co-expressi... | - |
| Retinoic acid receptor alpha | Kd | = | 8.0 | nM | 8.1 | Activation of RARalpha (unknown origin) expressed in human HeLa cells co-express... | - |
Data from ChEMBL 36 via Core Engine