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Name | Lergotrile [USAN:INN] |
---|---|
Molecular formula | C17H18ClN3 |
IUPAC name | 2-(5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)acetonitrile |
Molecular weight | 299.802 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8beta)- 2-Chloro-6-methylergoline-8beta-acetonitrile Lergotrilo [INN-Spanish] BDBM50028672 L000838 [ Show all ] |
Inchi Key | JKAHWGPTNVUTNB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3 |
PubChem CID | 37586 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50028672 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
152802 | 5-hydroxytryptamine receptor 6 | P31388 | Htr6 | Rattus norvegicus (Rat) | 436 |
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