Trade Names: | |
Synonyms: | |
Status: | Approved (1982) |
Entry Type: | Small molecule |
Molecule Category: | Salt Prodrug |
UNII: | 95PFX5932Y |
Parent Compound: | HETACILLIN |
InChI Key | QRSPJBLLJXVPDD-XFAPPKAWSA-M |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H22KN3O4S |
Molecular Weight | 427.57 |
AlogP | 1.41 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 89.95 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 27.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 2
|
6300 | - | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 82 |
Resources | Reference |
---|---|
ChEBI | 34789 |
ChEMBL | CHEMBL1201121 |
FDA SRS | 95PFX5932Y |
KEGG | C13980 |
PubChem | 23678597 |
SureChEMBL | SCHEMBL192601 |