Compound Detail
CHEMBL1536256
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Basic Information
| ChEMBL ID | CHEMBL1536256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXNNPVIOMIDAJM-CPNJWEJPSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.22
ALogP
7
HBA
1
HBD
84.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.74
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.74 | 5.74 | 1832.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.67 | 5.67 | 2141.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.31 | 5.31 | 4878.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.3 | 5.3 | 5060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 1832.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2141.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 4878.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 5060.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
Data from ChEMBL 36 via Core Engine