Compound Detail
CHEMBL1504407
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Basic Information
| ChEMBL ID | CHEMBL1504407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHNUCGQBBOJPOY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.1
MW (Da)
3.74
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.87 | 5.87 | 1357.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.65 | 5.65 | 2258.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.48 | 5.48 | 3338.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.38 | 5.38 | 4199.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.04 | 5.04 | 9203.0 | 1 |
| Caspase-3 CHEMBL2334 | EC50 | 4.48 | 4.48 | 33447.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1357.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2258.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 3338.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 4199.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Streptococcus | EC50 | = | 9203.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Caspase-3 | EC50 | = | 33447.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response ass... | - |
Data from ChEMBL 36 via Core Engine