Compound Detail
CHEMBL1981063
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C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n3cc(CCCCN=C(N)N)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)nn3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL1981063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMPMPTDXQXWJHT-CCYMZYIRSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1306.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.51
EC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.51 | 5.51 | 3110.0 | 1 |
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.43 | 5.325 | 3696.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.39 | 4.39 | 40700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | IC50 | = | 3110.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors u... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 3696.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 5989.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Intestinal-type alkaline phosphatase | EC50 | = | 40700.0 | nM | 4.39 | PUBCHEM_BIOASSAY: Dose Response concentration confirmation of uHTS hits from a s... | - |
Data from ChEMBL 36 via Core Engine