Compound Detail
CHEMBL1495714
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Basic Information
| ChEMBL ID | CHEMBL1495714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISTFTATZQQNYEU-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
6.17
ALogP
4
HBA
1
HBD
62.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.86
IC50 3 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.23 | 6.23 | 587.3 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.86 | 4.955 | 1392.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.71 | 5.71 | 1965.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.62 | 4.62 | 23850.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.43 | 4.43 | 36800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 587.26 | nM | 6.23 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Streptokinase A | EC50 | = | 1392.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1965.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Beta-galactosidase | EC50 | = | 23850.0 | nM | 4.62 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| Kappa-type opioid receptor | IC50 | = | 24000.0 | nM | 4.62 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Matrix metalloproteinase-14 | IC50 | = | 36800.0 | nM | 4.43 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Streptokinase A | EC50 | = | 89566.0 | nM | 4.05 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
Data from ChEMBL 36 via Core Engine