Compound Detail
CHEMBL1558968
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Basic Information
| ChEMBL ID | CHEMBL1558968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZPHDGJKYCKSCY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1624014 |
| Active Moiety | CHEMBL1624014 |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
5.34
ALogP
5
HBA
0
HBD
36.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.45
EC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.7 | 4.7 | 20119.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.67 | 4.67 | 21230.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.45 | 4.45 | 35263.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.44 | 4.435 | 36600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | EC50 | = | 20119.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| Unchecked | EC50 | = | 21230.0 | nM | 4.67 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| HEK293 | IC50 | = | 35263.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Unchecked | IC50 | = | 36600.0 | nM | 4.44 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 36820.0 | nM | 4.43 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine