Compound Detail
CHEMBL65374
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Basic Information
| ChEMBL ID | CHEMBL65374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZJSKRBKHCLMQC-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
3.71
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.565 | 2720.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
| DNA polymerase catalytic subunit CHEMBL4009 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| DNA polymerase alpha catalytic subunit CHEMBL1828 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 1480.0 | nM | 5.83 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| Tumor necrosis factor | IC50 | = | 2200.0 | nM | 5.66 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
| Unchecked | IC50 | = | 2720.0 | nM | 5.57 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | IC50 | = | 2730.0 | nM | 5.56 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| HEK293 | IC50 | = | 11800.0 | nM | 4.93 | PUBCHEM_BIOASSAY: SAR analysis of compounds that are cytotoxic to HEK293 revised... | - |
| DNA polymerase catalytic subunit | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase | 10999475 |
| DNA polymerase alpha catalytic subunit | IC50 | = | 32000.0 | nM | 4.5 | Compound was evaluated for the inhibitory activity against Human alpha polymeras... | 10999475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10999475 | 10.1016/s0960-894x(00)00402-9 | DNA polymerase catalytic subunit | 1 |
| 10999475 | 10.1016/s0960-894x(00)00402-9 | DNA polymerase alpha catalytic subunit | 1 |
| 10999475 | 10.1016/s0960-894x(00)00402-9 | HFF | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine