Compound Detail
CHEMBL1337685
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Basic Information
| ChEMBL ID | CHEMBL1337685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUZXSKGUUFMIAG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
3.60
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.21 | 5.21 | 6115.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.96 | 4.96 | 10892.1 | 1 |
| Fibrinogen beta chain CHEMBL2048 | IC50 | 4.75 | 4.75 | 17891.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 6115.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Heat shock protein HSP90 | IC50 | = | 10892.1 | nM | 4.96 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Fibrinogen beta chain | IC50 | = | 17891.0 | nM | 4.75 | PubChem BioAssay. Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine