Compound Detail
CHEMBL1571603
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 | CHEMBL1571603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNTUSPJOWIULPK-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180923 |
| Active Moiety | CHEMBL1180923 |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
252.5
MW (Da)
4.62
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
EC50 3 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.6 | 5.6 | 2510.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.0667 | 2560.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.54 | 5.51 | 2897.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.05 | 5.05 | 8929.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 2510.0 | nM | 5.6 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Unchecked | IC50 | = | 2560.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Unchecked | EC50 | = | 2897.0 | nM | 5.54 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 3334.0 | nM | 5.48 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 8929.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 9770.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 25100.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
Data from ChEMBL 36 via Core Engine