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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	CHEMBL372651
Molecular formula	C28H27N7O
IUPAC name	4-[5-ethyl-4-(8-piperazin-1-yl-2,3-dihydropyrrolo[3,2-g]isoquinoline-1-carbonyl)pyrazol-1-yl]benzonitrile
Molecular weight	477.572
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50410434 1-[1-(4-Cyanophenyl)-5-ethylpyrazol4-ylcarbonyl]-2,3-dihydro-8-(piperazin-1-yl)pyrrolo[3,2-g]isoquinoline BMCUOUFSLYKUKP-UHFFFAOYSA-N SCHEMBL6179449
Inchi Key	BMCUOUFSLYKUKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H27N7O/c1-2-25-24(18-32-35(25)22-5-3-19(17-29)4-6-22)28(36)34-12-8-21-15-20-7-9-31-27(23(20)16-26(21)34)33-13-10-30-11-14-33/h3-7,9,15-16,18,30H,2,8,10-14H2,1H3
PubChem CID	44404253
ChEMBL	CHEMBL372651
IUPHAR	N/A
BindingDB	50410434
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
27328	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
27330	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
27329	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377

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