Compound Detail
CHEMBL1506216
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1506216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBSKPTZPLQAXKO-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
1.54
ALogP
5
HBA
3
HBD
113.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.83
Ki 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.83 | 5.83 | 1463.0 | 1 |
| Synechocystis sp. PCC 6803 CHEMBL4513211 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Fructose-bisphosphate aldolase class 2 CHEMBL4523320 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.49 | 5.49 | 3234.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.39 | 5.39 | 4115.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.38 | 5.38 | 4217.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.81 | 4.81 | 15541.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1463.0 | nM | 5.83 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Synechocystis sp. PCC 6803 | EC50 | = | 2700.0 | nM | 5.57 | Algicidal activity against wild-type Synechocystis sp. PCC 6803 after 24 hrs by ... | 30711311 |
| Fructose-bisphosphate aldolase class 2 | Ki | = | 2800.0 | nM | 5.55 | Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherich... | 30711311 |
| Streptokinase A | EC50 | = | 3234.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 4115.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4217.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 15541.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30711311 | 10.1016/j.bmc.2019.01.023 | Synechocystis sp. PCC 6803 | 1 |
| 30711311 | 10.1016/j.bmc.2019.01.023 | Fructose-bisphosphate aldolase class 2 | 1 |
Data from ChEMBL 36 via Core Engine