Compound Detail
CHEMBL1490222
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Basic Information
| ChEMBL ID | CHEMBL1490222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTUQQFGFRQITLD-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
340.8
MW (Da)
4.13
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.18 | 5.71 | 655.0 | 3 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.04 | 6.04 | 911.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.86 | 5.86 | 1379.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.85 | 5.85 | 1417.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.16 | 5.16 | 6967.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 655.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 763.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Heat shock factor protein 1 | EC50 | = | 911.0 | nM | 6.04 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1379.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 1417.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 6967.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 14747.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Data from ChEMBL 36 via Core Engine