Compound Detail
CHEMBL1998716
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Basic Information
| ChEMBL ID | CHEMBL1998716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVDYKXYPNZACHG-YZSQISJMSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
5.04
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.44 | 6.34 | 364.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.32 | 6.32 | 475.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.62 | 5.62 | 2414.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.31 | 5.31 | 4874.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.19 | 5.19 | 6470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 364.0 | nM | 6.44 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 472.0 | nM | 6.33 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 475.0 | nM | 6.32 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 568.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Streptococcus | EC50 | = | 2414.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4874.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 6470.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine