Compound Detail
CHEMBL1314043
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Basic Information
| ChEMBL ID | CHEMBL1314043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRPYYACQUPIKLE-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
5.00
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.81
Kd 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.9 | 6.9 | 126.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | Kd | 5.92 | 5.92 | 1217.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.81 | 5.32 | 1541.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 126.0 | nM | 6.9 | Binding affinity to tau protein (unknown origin) | 35759679 |
| Amyloid-beta precursor protein | Kd | = | 1217.0 | nM | 5.92 | Binding affinity to amyloid beta (1 to 40) (unknown origin) fibrils | 35759679 |
| Unchecked | EC50 | = | 1541.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Unchecked | EC50 | = | 1541.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose HTS Response to Identify Inhibito... | - |
| Unchecked | EC50 | = | 2691.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 2691.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Unchecked | EC50 | = | 26331.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 26331.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Confirm Activators of 5... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 1 |
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine