Compound Detail
CHEMBL1372064
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Basic Information
| ChEMBL ID | CHEMBL1372064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCFKRZQSCSCSKJ-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
4.26
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.33
EC50 3 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.53 | 4.99 | 2975.0 | 2 |
| Trace amine-associated receptor 1 CHEMBL5857 | IC50 | 5.33 | 5.33 | 4716.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 5.14 | 5.14 | 7299.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.84 | 12800.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.83 | 4.83 | 14913.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 2975.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Trace amine-associated receptor 1 | IC50 | = | 4716.0 | nM | 5.33 | PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... | - |
| H9c2 | IC50 | = | 7299.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 12800.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Streptococcus sp. 'group A' | EC50 | = | 14913.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 16300.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Streptokinase A | EC50 | = | 35879.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
Data from ChEMBL 36 via Core Engine