Compound Detail
CHEMBL2004487
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C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(=O)O)n3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL2004487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIKXNLYBHBNDTI-BFGZFBQASA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1317.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
EC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.34 | 5.14 | 4517.0 | 2 |
| Vasopressin V1a receptor CHEMBL1889 | EC50 | 5.08 | 5.08 | 8366.0 | 1 |
| Large ribosomal subunit protein eL19A CHEMBL1741172 | EC50 | 4.96 | 4.96 | 10980.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.57 | 4.57 | 27200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 4517.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Vasopressin V1a receptor | EC50 | = | 8366.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response sc... | - |
| Large ribosomal subunit protein eL19A | EC50 | = | 10980.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 11419.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 27200.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
Data from ChEMBL 36 via Core Engine