Compound Detail
CHEMBL1982108
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C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n3cc(C)nn3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL1982108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGJRXCFJPQXZKA-HUIFRNELSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1162.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.18 | 5.07 | 6610.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.94 | 4.94 | 11448.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 6610.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 11060.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| HEK293 | IC50 | = | 11448.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
Data from ChEMBL 36 via Core Engine