Compound Detail
CHEMBL1607801
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Basic Information
| ChEMBL ID | CHEMBL1607801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLZFUGVEEJGLAF-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
1.49
ALogP
6
HBA
0
HBD
90.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
EC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.38 | 6.38 | 418.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 170.0 | nM | 6.77 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Heat shock factor protein 1 | EC50 | = | 418.0 | nM | 6.38 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Heat shock protein HSP 90-alpha | IC50 | = | 1390.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
Data from ChEMBL 36 via Core Engine