Compound Detail
CHEMBL1416417
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Basic Information
| ChEMBL ID | CHEMBL1416417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNNYZVJYKZYKOE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.11
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.24 | 5.24 | 5794.7 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 4.87 | 4.87 | 13599.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 5794.7 | nM | 5.24 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Estrogen receptor beta | IC50 | = | 13599.64 | nM | 4.87 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
Data from ChEMBL 36 via Core Engine