Compound Detail
CHEMBL2004157
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Basic Information
| ChEMBL ID | CHEMBL2004157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNONYGHUKJNYMH-MZJWZYIUSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.3
MW (Da)
5.84
ALogP
2
HBA
3
HBD
73.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.42 | 6.4 | 378.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.89 | 5.89 | 1290.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.66 | 5.66 | 2166.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.65 | 5.65 | 2220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 378.0 | nM | 6.42 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 412.0 | nM | 6.38 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1290.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 2166.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 2220.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine