Compound Detail
CHEMBL1570108
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CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(Oc4ccccc4)cc3)c(C(=O)NCc3ccccc3)c2)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL1570108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORJVIAIBWQQPAU-AMTAJSKDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
569.6
MW (Da)
5.33
ALogP
7
HBA
3
HBD
106.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11575.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 4.8 | 4.8 | 15967.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11575.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
| Insulin-degrading enzyme | IC50 | = | 15967.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
Data from ChEMBL 36 via Core Engine