Compound Detail
CHEMBL3192616
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Basic Information
| ChEMBL ID | CHEMBL3192616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXCULTGVCIXFKL-YDZHTSKRSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
3.58
ALogP
10
HBA
3
HBD
122.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.06
IC50 3 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.06 | 6.06 | 868.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.06 | 5.83 | 878.0 | 3 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.97 | 5.97 | 1073.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.67 | 5.67 | 2161.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.3 | 5.3 | 5050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 868.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 878.0 | nM | 6.06 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1073.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 1670.0 | nM | 5.78 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Streptococcus | EC50 | = | 2161.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 2230.0 | nM | 5.65 | PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... | - |
| Unchecked | EC50 | = | 5050.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine