Compound Detail
CHEMBL81379
RETINAL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL81379 |
| Name | RETINAL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCYCYZXNIZJOKI-OVSJKPMPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
5.72
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Alpha-synuclein CHEMBL6152 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Nuclear receptor subfamily 2 group E member 1 CHEMBL1961788 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 180.0 | nM | 6.75 | Inhibition of amyloid beta (1 to 40) (unknown origin) incubated for 24 hrs to 7 ... | 30743095 |
| Alpha-synuclein | IC50 | = | 190.0 | nM | 6.72 | Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24... | 30743095 |
| Nuclear receptor subfamily 2 group E member 1 | EC50 | = | 200.0 | nM | 6.7 | Inverse agonist activity at TLX (unknown origin) | 34251209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18087047 | 10.1073/pnas.0705659105 | Aldo-keto reductase family 1 member B10 | 14 |
| 18087047 | 10.1073/pnas.0705659105 | Aldo-keto reductase family 1 member B1 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 34251209 | 10.1021/acs.jmedchem.1c00186 | Nuclear receptor subfamily 2 group E member 1 | 2 |
| 10476880 | 10.1016/s0960-894x(99)00406-0 | Unchecked | 1 |
| 2849641 | 10.1021/np50059a019 | Unchecked | 1 |
| 21314100 | 10.1021/np100749j | Long-wave-sensitive opsin 1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 30743095 | 10.1016/j.ejmech.2019.01.045 | Alpha-synuclein | 1 |
| 30743095 | 10.1016/j.ejmech.2019.01.045 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine