Compound Detail
CHEMBL1428153
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
Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1
Basic Information
| ChEMBL ID | CHEMBL1428153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDXQGNUWBUFDMK-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
6.70
ALogP
8
HBA
3
HBD
98.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.81
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.81 | 5.81 | 1537.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.5 | 5.5 | 3198.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.36 | 5.23 | 4374.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.34 | 5.34 | 4537.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.55 | 4.55 | 28257.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.33 | 4.33 | 46434.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 1537.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 3198.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 4374.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Rec... | - |
| Streptokinase A | EC50 | = | 4537.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 8003.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based S... | - |
| Zinc finger protein mex-5 | EC50 | = | 28257.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 46434.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine