Compound Detail
CHEMBL1485259
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Basic Information
| ChEMBL ID | CHEMBL1485259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONQOPCPHMPWSFR-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
3.25
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.82 | 5.52 | 152.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.1 | 6.1 | 790.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.03 | 6.03 | 926.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.99 | 5.99 | 1020.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.65 | 5.65 | 2226.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 152.0 | nM | 6.82 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 790.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Streptokinase A | EC50 | = | 926.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1020.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 2226.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 59843.0 | nM | 4.22 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
Data from ChEMBL 36 via Core Engine