Compound Detail
CHEMBL1387790
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Basic Information
| ChEMBL ID | CHEMBL1387790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZELFHSXQFBBQEA-VKAVYKQESA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
4.26
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.74
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.26 | 6.03 | 550.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.74 | 5.0 | 1833.0 | 2 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.61 | 4.61 | 24569.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.57 | 4.57 | 27116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein | IC50 | = | 160.0 | nM | 6.8 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 1580.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | EC50 | = | 1833.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Zinc finger protein mex-5 | EC50 | = | 24569.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 27116.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | EC50 | = | 54751.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
Data from ChEMBL 36 via Core Engine