Compound Detail
CHEMBL1973159
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C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n3cc(C)nn3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL1973159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLVOWFRZPXLKBK-XBIUPKCFSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1246.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.53
EC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.53 | 5.475 | 2942.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 5.4 | 5.4 | 3964.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 5.34 | 5.34 | 4597.0 | 1 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.29 | 5.29 | 5140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 2942.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 3820.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| HEK293 | IC50 | = | 3964.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Insulin-degrading enzyme | EC50 | = | 4597.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Bcl-2-related protein A1 | IC50 | = | 5140.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors u... | - |
Data from ChEMBL 36 via Core Engine