Compound Detail
CHEMBL1502839
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Basic Information
| ChEMBL ID | CHEMBL1502839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMYAUPGHULTHRI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.09
ALogP
7
HBA
1
HBD
85.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 14-3-3 protein gamma CHEMBL1293296 | IC50 | 6.07 | 6.07 | 852.7 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.95 | 5.95 | 1114.3 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 4.95 | 4.95 | 11170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 14-3-3 protein gamma | IC50 | = | 852.7 | nM | 6.07 | PUBCHEM_BIOASSAY: 14-3-3 protein interaction modulators Dose Response Confirmati... | - |
| Heat shock protein HSP90 | IC50 | = | 1114.3 | nM | 5.95 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 11170.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine