Compound Detail
CHEMBL3198213
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Basic Information
| ChEMBL ID | CHEMBL3198213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANZIOUQAFBXNHU-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
0.82
ALogP
4
HBA
5
HBD
124.7
PSA (Ų)
0.17
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.46
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus CHEMBL612313 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 4.8833 | 6850.0 | 3 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.01 | 5.01 | 9727.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.12 | 4.12 | 76496.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus | EC50 | = | 350.0 | nM | 6.46 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 6850.0 | nM | 5.16 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Zinc finger protein mex-5 | EC50 | = | 9727.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | IC50 | = | 16860.0 | nM | 4.77 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 19250.0 | nM | 4.72 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| RNA-binding protein pos-1 | EC50 | = | 76496.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine