You can:
Name | Lergotrile |
---|---|
Molecular formula | C17H18ClN3 |
IUPAC name | 2-[(6aR,9S,10aR)-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 | 2-Chloro-6-methylergoline-8beta-acetonitrile Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8beta)- Lergotrilum 36945-03-6 O68JXU1W09 [ Show all ] |
Inchi Key | JKAHWGPTNVUTNB-IXPVHAAZSA-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/t10-,12-,15-/m1/s1 |
PubChem CID | 6918447 |
ChEMBL | N/A |
IUPHAR | 270 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
554028 | 5-hydroxytryptamine receptor 6 | P31388 | Htr6 | Rattus norvegicus (Rat) | 436 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218