Compound Detail
CHEMBL1303651
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Basic Information
| ChEMBL ID | CHEMBL1303651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEBMDVYCTCYUQY-LDADJPATSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.4
MW (Da)
5.74
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.89
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.89 | 5.85 | 1274.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.74 | 5.74 | 1814.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.6 | 5.6 | 2510.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.39 | 5.39 | 4080.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.32 | 4.32 | 47400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 1274.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 1549.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1814.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 2510.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4080.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 47400.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Dose response validation of uHTS inhibitor hits from DNMT1 for... | - |
Data from ChEMBL 36 via Core Engine