Compound Detail
CHEMBL1545153
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Basic Information
| ChEMBL ID | CHEMBL1545153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKCPCYRMMZHKJX-RIYZIHGNSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.28
ALogP
6
HBA
1
HBD
73.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
EC50 3 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.12 | 1580.0 | 4 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.78 | 4.78 | 16543.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.66 | 4.66 | 22026.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.58 | 4.58 | 26458.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1580.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 8140.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 12140.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Streptokinase A | EC50 | = | 16543.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 21300.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Streptococcus sp. 'group A' | EC50 | = | 22026.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 26458.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine