Compound Detail
CHEMBL1359342
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Basic Information
| ChEMBL ID | CHEMBL1359342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DARZRPCNHBRTOT-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.0
MW (Da)
5.62
ALogP
5
HBA
0
HBD
39.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.85
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.36 | 5.36 | 4410.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.0 | 5.0 | 10100.0 | 1 |
| C-X-C chemokine receptor type 5 CHEMBL1075315 | IC50 | 4.58 | 4.58 | 26323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 14.0 | nM | 7.85 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Protein RecA | EC50 | = | 4410.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Heat shock factor protein 1 | EC50 | = | 10100.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| C-X-C chemokine receptor type 5 | IC50 | = | 26323.0 | nM | 4.58 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine