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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	CHEMBL117406
Molecular formula	C18H20ClN3
IUPAC name	13-chloro-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Molecular weight	313.829
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.7
Synonyms	(-)-8-chloro-6,11-dihydro-11-(4-piperazinyl)-5H-benzo[5,6]cyclohepta-[1,2-b]pyridine BDBM50063449 8-chloro-11-(1-piperazinyl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine LBFVXHPJYBTANV-UHFFFAOYSA-N 8-chloro-6,11-dihydro-11-(1-piperazinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine 8-CHLORO-11-(1PIPERAZINYL)-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE Oprea1_418564 (+)-8-chloro-6,11-dihydro-11-(4-piperazinyl)-5H-benzo[5,6]cyclohepta-[1,2-b]pyridine AKOS005064174 8-CHLORO-11(1-PIPERAZINYL)-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE 8-Chloro-11-piperazin-1-yl-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine SCHEMBL4692739 [ Show all ]
Inchi Key	LBFVXHPJYBTANV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20ClN3/c19-15-5-6-16-14(12-15)4-3-13-2-1-7-21-17(13)18(16)22-10-8-20-9-11-22/h1-2,5-7,12,18,20H,3-4,8-11H2
PubChem CID	5255691
ChEMBL	CHEMBL117406
IUPHAR	N/A
BindingDB	50063449
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
183186	Histamine H1 receptor	P31390	Hrh1	Rattus norvegicus (Rat)	486

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