Compound Detail
CHEMBL1299925
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CN1CCN(CCCNC(=O)c2ccc(/C=C3\Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL1299925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVWUTVFNUCNTII-ANYBSYGZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
545.1
MW (Da)
4.67
ALogP
5
HBA
1
HBD
65.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.87
EC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.87 | 5.39 | 1351.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.12 | 5.12 | 7655.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 1351.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 7655.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 12411.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
Data from ChEMBL 36 via Core Engine