Compound Detail
CHEMBL275311
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Basic Information
| ChEMBL ID | CHEMBL275311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOIVPCKZDPCJJY-JQIJEIRASA-N |
11
Targets
45
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
6.29
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 24 meas. best 9.74
IC50 11 meas. best 10.22
Ki 6 meas. best 9.3
Kd 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 10.22 | 10.22 | 0.1 | 2 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 9.74 | 7.8013 | 0.2 | 8 |
| Retinoic acid receptor beta CHEMBL2008 | Ki | 9.3 | 8.9667 | 0.5 | 3 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 8.7 | 8.5114 | 2.0 | 7 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 8.52 | 8.4257 | 3.0 | 7 |
| Retinoic acid receptor gamma CHEMBL2003 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | Kd | 7.58 | 7.58 | 26.0 | 2 |
| Retinoic acid receptor alpha CHEMBL2055 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Kd | 7.44 | 7.44 | 36.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.36 | 4.905 | 4400.0 | 2 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine