Compound Detail
CHEMBL1979800
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Basic Information
| ChEMBL ID | CHEMBL1979800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRWQBDNMCSPGLI-RGVLZGJSSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.14
ALogP
8
HBA
2
HBD
97.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.07
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.07 | 6.07 | 853.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.78 | 5.78 | 1669.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.87 | 4.87 | 13600.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.49 | 4.49 | 32741.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.49 | 4.49 | 32322.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 853.0 | nM | 6.07 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1669.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 13600.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Streptococcus | EC50 | = | 32741.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| HEK293 | IC50 | = | 32322.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
Data from ChEMBL 36 via Core Engine