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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	CHEMBL50530
Molecular formula	C24H34N2O4
IUPAC name	2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
Molecular weight	414.546
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.6
Synonyms	3-[4-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]propylamino]butyl]-3-azabicyclo[3.3.0]octane-2,4-dione PEJFBWCDCTVGLS-UHFFFAOYSA-N BDBM50036852 L005759 3-{4-[N-PROPYL-N-(5-METHOXY-3-CHROMANYL)AMINO]BUTYL}-2,4-DIOXO-3-AZABICYCLO[3.3.0]OCTANE SCHEMBL9305464 CHEMBL1178932 2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl}-tetrahydro-cyclopenta[c]pyrrole-1,3-dione; compound with oxalic acid LS-58203 [ Show all ]
Inchi Key	PEJFBWCDCTVGLS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H34N2O4/c1-3-12-25(17-15-20-21(29-2)10-7-11-22(20)30-16-17)13-4-5-14-26-23(27)18-8-6-9-19(18)24(26)28/h7,10-11,17-19H,3-6,8-9,12-16H2,1-2H3
PubChem CID	10251234
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50036852
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
257682	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
257676	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
257681	5-hydroxytryptamine receptor 2A	Q75Z89	HTR2A	Bos taurus (Bovine)	470
257678	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
257680	Alpha-2A adrenergic receptor	Q28838	ADRA2A	Bos taurus (Bovine)	452
257679	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
257677	D(2) dopamine receptor	P20288	DRD2	Bos taurus (Bovine)	444

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