Compound Detail
CHEMBL1547685
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Basic Information
| ChEMBL ID | CHEMBL1547685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSLGWYYZZSEJMJ-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
5.34
ALogP
7
HBA
1
HBD
87.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.41
EC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.06 | 3870.0 | 4 |
| H9c2 CHEMBL614576 | IC50 | 5.07 | 5.07 | 8615.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.0 | 5.0 | 10103.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.93 | 4.93 | 11670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3870.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 7150.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| H9c2 | IC50 | = | 8615.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 8710.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Streptokinase A | EC50 | = | 10103.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 11670.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 23950.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine