Compound Detail
CHEMBL1400375
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Basic Information
| ChEMBL ID | CHEMBL1400375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFCHWWWWIQRULP-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
0.27
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.27
IC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.29 | 6.29 | 511.8 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 6.27 | 6.27 | 536.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.73 | 5.5333 | 1880.0 | 3 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.98 | 4.98 | 10366.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 511.77 | nM | 6.29 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Protein RecA | EC50 | = | 536.0 | nM | 6.27 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | EC50 | = | 1880.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 1986.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 6808.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Heat shock factor protein 1 | EC50 | = | 10366.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine