Compound Detail
CHEMBL1388358
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1388358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRDIMGZPSNNFQF-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
4.46
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.83
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.83 | 6.225 | 147.0 | 4 |
| Protein RecA CHEMBL1741171 | EC50 | 6.47 | 6.47 | 339.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.38 | 6.38 | 413.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.46 | 4.46 | 34677.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 147.0 | nM | 6.83 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| BJ | EC50 | = | 171.0 | nM | 6.77 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Protein RecA | EC50 | = | 339.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | EC50 | = | 413.0 | nM | 6.38 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 1248.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| BJ | EC50 | = | 3951.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Calpain-2 catalytic subunit | IC50 | = | 34677.25 | nM | 4.46 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
Data from ChEMBL 36 via Core Engine