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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	CHEMBL551964
Molecular formula	C27H25N5O2
IUPAC name	2-[4-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperazin-1-yl]quinoline-6-carbonitrile
Molecular weight	451.53
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.3
Synonyms	2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl}piperazin-1-yl)-quinoline-6-carbonitrile BDBM50295052 SCHEMBL5912876
Inchi Key	AIBSVCNXTNBLRF-NRFANRHFSA-N
Inchi ID	InChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1
PubChem CID	44192200
ChEMBL	CHEMBL551964
IUPHAR	N/A
BindingDB	50295052
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
6084	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
6085	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
6086	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
6087	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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