Compound Detail
CHEMBL1980281
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C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n3cc(CCO)nn3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL1980281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIBIFEUWLXJTSN-IONAWPRUSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1222.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.34 | 5.26 | 4601.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.16 | 5.16 | 6920.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.84 | 4.84 | 14463.0 | 1 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 4601.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 6586.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 6920.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| HEK293 | IC50 | = | 14463.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Bcl-2-related protein A1 | IC50 | = | 18500.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors u... | - |
Data from ChEMBL 36 via Core Engine