Compound Detail
CHEMBL1556891
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
O=C1C([N-]S(=O)(=O)c2cccs2)=C([n+]2ccc(CCCc3ccccc3)cc2)C(=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL1556891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHELPITUSPZGGN-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
5.22
ALogP
5
HBA
0
HBD
86.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.08
IC50 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.08 | 5.03 | 8355.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.74 | 4.69 | 18250.0 | 2 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.01 | 4.01 | 96973.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 8355.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 10532.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | IC50 | = | 18250.0 | nM | 4.74 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 22830.0 | nM | 4.64 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Zinc finger protein mex-5 | EC50 | = | 96973.0 | nM | 4.01 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine