Compound Detail
CHEMBL1366206
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Basic Information
| ChEMBL ID | CHEMBL1366206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVKXSRYKRGSDJO-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
4.11
ALogP
6
HBA
0
HBD
56.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.32
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.6 | 5.585 | 2500.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.32 | 5.32 | 4757.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.04 | 5.04 | 9210.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.02 | 5.02 | 9474.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase HKDC1 | IC50 | = | 2500.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Hexokinase HKDC1 | IC50 | = | 2720.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Streptokinase A | EC50 | = | 4757.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 9210.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptococcus sp. 'group A' | EC50 | = | 9474.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine