Compound Detail
CHEMBL1409373
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Basic Information
| ChEMBL ID | CHEMBL1409373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILJBOVQNAKDIKN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
0.87
ALogP
4
HBA
3
HBD
109.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 5.71 | 5.71 | 1970.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.33 | 4.33 | 47300.0 | 1 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.21 | 4.21 | 62200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A | IC50 | = | 1970.0 | nM | 5.71 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 47300.0 | nM | 4.33 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 62200.0 | nM | 4.21 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
Data from ChEMBL 36 via Core Engine