Compound Detail
CHEMBL1995720
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C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCCCN)nn3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL1995720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISLQCPDWNVIMNH-XDTJBDHVSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1275.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.58
EC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.58 | 5.475 | 2641.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 5.03 | 5.03 | 9367.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 5.01 | 5.01 | 9666.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 2641.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 4224.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| HEK293 | IC50 | = | 9367.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Insulin-degrading enzyme | EC50 | = | 9666.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 25000.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
Data from ChEMBL 36 via Core Engine