Compound Detail
CHEMBL1597245
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Basic Information
| ChEMBL ID | CHEMBL1597245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYDHSPJJPLZJMX-MDZDMXLPSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
3.04
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.21
EC50 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.21 | 5.9 | 620.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.76 | 5.76 | 1729.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.45 | 5.45 | 3590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 620.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Jurkat | IC50 | = | 1400.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Heat shock factor protein 1 | EC50 | = | 1729.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 2590.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 3590.0 | nM | 5.45 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
Data from ChEMBL 36 via Core Engine