Compound Detail
CHEMBL1302865
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Basic Information
| ChEMBL ID | CHEMBL1302865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZYJEELXKAEPOV-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.8
MW (Da)
2.50
ALogP
7
HBA
2
HBD
114.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.0
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9c2 CHEMBL614576 | IC50 | 5.14 | 5.14 | 7169.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.0 | 5.0 | 9991.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.83 | 4.83 | 14654.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.64 | 4.64 | 23135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9c2 | IC50 | = | 7169.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Streptococcus sp. 'group A' | EC50 | = | 9991.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 14654.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 23135.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine