Compound Detail
CHEMBL1364018
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 | CHEMBL1364018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISRQYFYSTSQAMW-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
3.57
ALogP
4
HBA
0
HBD
45.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.82
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.82 | 5.82 | 1510.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.68 | 5.535 | 2106.5 | 2 |
| HEK293 CHEMBL614818 | EC50 | 5.09 | 5.09 | 8030.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 5.05 | 5.05 | 8810.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.45 | 4.45 | 35730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 1510.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| HEK293 | IC50 | = | 2106.5 | nM | 5.68 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 4050.0 | nM | 5.39 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | EC50 | = | 8030.0 | nM | 5.09 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 8810.0 | nM | 5.05 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Heat shock factor protein 1 | EC50 | = | 35730.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine