Compound Detail
CHEMBL1608225
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Basic Information
| ChEMBL ID | CHEMBL1608225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBCFDRNSQSSDPC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.1
MW (Da)
3.53
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
| Heat shock cognate 71 kDa protein CHEMBL1275223 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.21 | 4.21 | 61600.0 | 1 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.2 | 4.2 | 62700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A | IC50 | = | 18100.0 | nM | 4.74 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Heat shock cognate 71 kDa protein | IC50 | = | 53000.0 | nM | 4.28 | PUBCHEM_BIOASSAY: In Vitro Hsc70 Dose Response Fluorescence Polarization Assay. ... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 61600.0 | nM | 4.21 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 62700.0 | nM | 4.2 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
Data from ChEMBL 36 via Core Engine