Trade Names: | |
Synonyms: | |
Status: | Approved (1978) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | FFP983J3OD |
Parent Compound: | BROMOCRIPTINE |
InChI Key | NOJMTMIRQRDZMT-GSPXQYRGSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C33H44BrN5O8S |
Molecular Weight | 750.71 |
AlogP | 3.19 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 118.21 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 43.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 0 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 67 |
Resources | Reference |
---|---|
ChEBI | 3182 |
ChEMBL | CHEMBL1200503 |
EPA CompTox | DTXSID6020197 |
FDA SRS | FFP983J3OD |
Guide to Pharmacology | 35 |
KEGG | C06856 |
PDB | 08Y |
PubChem | 31100 |
SureChEMBL | SCHEMBL40559 |
ZINC | ZINC53683151 |