Compound Detail
CHEMBL1388469
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Basic Information
| ChEMBL ID | CHEMBL1388469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQTIYCHYBRWPPP-UHFFFAOYSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.9
MW (Da)
3.68
ALogP
5
HBA
0
HBD
51.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.08
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.08 | 5.4867 | 834.0 | 3 |
| Protein RecA CHEMBL1741171 | EC50 | 5.85 | 5.85 | 1410.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.66 | 5.5067 | 2205.0 | 3 |
| 3C-like protease CHEMBL1293307 | IC50 | 5.64 | 5.64 | 2299.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 834.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Protein RecA | EC50 | = | 1410.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | EC50 | = | 2205.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| 3C-like protease | IC50 | = | 2299.0 | nM | 5.64 | PUBCHEM_BIOASSAY: QFRET-based dose response biochemical high throughput screenin... | - |
| Unchecked | EC50 | = | 2640.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Unchecked | EC50 | = | 5258.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 6053.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 6924.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
Data from ChEMBL 36 via Core Engine