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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

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	CHEMBL80937 Lergotrile [USAN:INN] UNII-O68JXU1W09 2-Chloro-6-methylergoline-8beta-acetonitrile Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8beta)- Lergotrilum 36945-03-6 O68JXU1W09 D04693 Lergotrilo ZINC4216721 2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]acetonitrile GTPL270 Lergotrilum [INN-Latin] BDBM50224035 Lergotrile (USAN/INN) SCHEMBL635242 D0DE8K Lergotrilo [INN-Spanish] JKAHWGPTNVUTNB-IXPVHAAZSA-N LY 79907 [ 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 SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
554028	5-hydroxytryptamine receptor 6	P31388	Htr6	Rattus norvegicus (Rat)	436

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