Compound Detail
CHEMBL1428735
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Basic Information
| ChEMBL ID | CHEMBL1428735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWFJEUOLFWDDLQ-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.02
ALogP
4
HBA
0
HBD
71.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.88
EC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.58 | 6.5067 | 263.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.88 | 5.8 | 1330.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 5.33 | 5.33 | 4640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 263.0 | nM | 6.58 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 315.0 | nM | 6.5 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 363.0 | nM | 6.44 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | IC50 | = | 1330.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Jurkat | IC50 | = | 1570.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | IC50 | = | 1890.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Heat shock protein HSP 90-alpha | IC50 | = | 4640.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
Data from ChEMBL 36 via Core Engine