Compound Detail
CHEMBL1329597
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Basic Information
| ChEMBL ID | CHEMBL1329597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDFFNSUDGUZZSJ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.36
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.68 | 6.68 | 209.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.29 | 5.29 | 5128.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.18 | 5.18 | 6621.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 4.67 | 4.67 | 21305.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.31 | 4.31 | 49207.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 209.0 | nM | 6.68 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Zinc finger protein mex-5 | EC50 | = | 5128.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 6621.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Troponin, cardiac muscle | EC50 | = | 21305.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 49207.0 | nM | 4.31 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine