Compound Detail
CHEMBL1373046
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Basic Information
| ChEMBL ID | CHEMBL1373046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGONIROXPIPVDK-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.04
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 4.49 | 4.49 | 32500.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.35 | 4.35 | 44800.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.32 | 4.285 | 48200.0 | 2 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.06 | 4.06 | 87300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A | IC50 | = | 32500.0 | nM | 4.49 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 44800.0 | nM | 4.35 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 48200.0 | nM | 4.32 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 55800.0 | nM | 4.25 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 87300.0 | nM | 4.06 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
Data from ChEMBL 36 via Core Engine