Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | Q7Y33N57ZZ |
EPA CompTox | DTXSID80238485 |
InChI Key | IFRGXKKQHBVPCQ-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C24H31N3O3 | |
Molecular Weight | 409.53 | |
AlogP | 3.12 | |
Hydrogen Bond Acceptor | 5.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 4.0 | |
Polar Surface Area | 67.25 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 30.0 |
Protein: Heat shock protein HSP90 Description: Heat shock protein HSP 90-alpha Organism : Homo sapiens P07900 ENSG00000080824 |
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Protein: Heat shock protein HSP90 Description: Heat shock protein HSP 90-beta Organism : Homo sapiens P08238 ENSG00000096384 |
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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | - | - | - | 7-42 | ||
Other cytosolic protein
|
- | 13-20 | - | - | 100 | ||
Other membrane protein
|
- | 22 | - | - | - |
Resources | Reference | |
---|---|---|
ChEBI | 140592 | |
ChEMBL | CHEMBL1214827 | |
DrugBank | DB06306 | |
FDA SRS | Q7Y33N57ZZ | |
PDB | XJX | |
PubChem | 11955716 | |
SureChEMBL | SCHEMBL382780 | |
ZINC | ZINC000043208226 |