Compound Detail
CHEMBL3199742
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Basic Information
| ChEMBL ID | CHEMBL3199742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPGVZRQJFBDTLE-BUVRLJJBSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
4.45
ALogP
6
HBA
2
HBD
97.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.45
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3030.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.45 | 5.45 | 3532.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.4 | 5.4 | 3995.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.29 | 5.29 | 5177.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.77 | 4.77 | 16954.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3030.0 | nM | 5.52 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3532.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 3995.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Streptokinase A | EC50 | = | 5177.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 16954.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Envelope glycoprotein gp160 | IC50 | = | 23400.0 | nM | 4.63 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine