Compound Detail
CHEMBL1569711
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Basic Information
| ChEMBL ID | CHEMBL1569711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJORMRFQFZHIGF-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
1.35
ALogP
4
HBA
3
HBD
73.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.57 | 5.055 | 2710.0 | 2 |
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 5.48 | 5.48 | 3280.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.01 | 5.01 | 9690.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.87 | 4.87 | 13562.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 2710.0 | nM | 5.57 | PUBCHEM_BIOASSAY: uHTS Homogeneous Terbium Time-Resolved Fluorescence Resonance ... | - |
| Insulin-degrading enzyme | IC50 | = | 3280.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 9690.0 | nM | 5.01 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Unchecked | IC50 | = | 13562.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 28500.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf... | - |
Data from ChEMBL 36 via Core Engine