Compound Detail
CHEMBL1490321
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Basic Information
| ChEMBL ID | CHEMBL1490321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUAYMJLUZNBPQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.84
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.15 | 4.15 | 70200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A | IC50 | = | 24700.0 | nM | 4.61 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 70200.0 | nM | 4.15 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
Data from ChEMBL 36 via Core Engine