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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	CHEMBL331603
Molecular formula	C23H25ClN2O
IUPAC name	1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]butan-1-one
Molecular weight	380.916
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.3
Synonyms	5,6-Dihydro-11-(1-butyryl-4-piperidinylidene)-8-chloro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine 1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-butan-1-one BDBM50007465 SCHEMBL8889765
Inchi Key	DJUHRAPXNFPKDW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25ClN2O/c1-2-4-21(27)26-13-10-16(11-14-26)22-20-9-8-19(24)15-18(20)7-6-17-5-3-12-25-23(17)22/h3,5,8-9,12,15H,2,4,6-7,10-11,13-14H2,1H3
PubChem CID	14554127
ChEMBL	CHEMBL331603
IUPHAR	N/A
BindingDB	50007465
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
61830	Histamine H1 receptor	P31390	Hrh1	Rattus norvegicus (Rat)	486
444134	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
61829	Platelet-activating factor receptor	P25105	PTAFR	Homo sapiens (Human)	342

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