Compound Detail
CHEMBL1495592
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Basic Information
| ChEMBL ID | CHEMBL1495592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAPHBOSWRVYHSF-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
5.27
ALogP
6
HBA
1
HBD
69.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.69
EC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.69 | 5.405 | 2060.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.05 | 5.045 | 8957.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.72 | 4.72 | 19050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 2060.0 | nM | 5.69 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 7670.0 | nM | 5.12 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Unchecked | EC50 | = | 8957.0 | nM | 5.05 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 9195.0 | nM | 5.04 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | IC50 | = | 19050.0 | nM | 4.72 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
Data from ChEMBL 36 via Core Engine