Compound Detail
CHEMBL1530087
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1530087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUAUHVLEKGYOBZ-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
4.76
ALogP
6
HBA
1
HBD
53.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.11
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.11 | 4.995 | 7715.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.98 | 4.98 | 10419.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.75 | 4.7 | 17750.0 | 2 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.66 | 4.66 | 21750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 7715.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| HEK293 | IC50 | = | 10419.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 13031.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Unchecked | IC50 | = | 17750.0 | nM | 4.75 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Insulin-degrading enzyme | EC50 | = | 21750.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| Unchecked | IC50 | = | 22530.0 | nM | 4.65 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine