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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	CHEMBL127400
Molecular formula	C25H30N4O2
IUPAC name	N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
Molecular weight	418.541
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50131926 Isoquinoline-3-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
Inchi Key	INDXRHKLECFZHX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-16-14-28(15-17-29)13-7-6-12-26-25(30)22-18-20-8-2-3-9-21(20)19-27-22/h2-5,8-11,18-19H,6-7,12-17H2,1H3,(H,26,30)
PubChem CID	10895039
ChEMBL	CHEMBL127400
IUPHAR	N/A
BindingDB	50131926
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
137159	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
137161	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
137156	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
137160	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446
137154	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
137157	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
137155	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446
137158	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400

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