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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	CHEMBL388087
Molecular formula	C18H16N4OS
IUPAC name	5-benzyl-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Molecular weight	336.413
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.1
Synonyms	9-dimethylamino-3-benzyl-3H-5-thia-1,3,6-triazafluoren-4-one MCULE-3527362764 STL323467 BDBM50177064 Oprea1_532686 159583-12-7 cid_657896 SR-01000426473 AC1LCXK0 MLS000038237 ZINC4339374 SCHEMBL8244926 3-benzyl-9-(dimethylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one 9-(Dimethylamino)-3-benzylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one HMS2439F05 SR-01000426473-1 AKOS022110339 MolPort-002-542-364 3-Benzyl-9-dimethylamino-3H-pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4-one SMR000036367 [ Show all ]
Inchi Key	AVJJIBOWEKYOER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
PubChem CID	657896
ChEMBL	CHEMBL388087
IUPHAR	N/A
BindingDB	50177064
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
15345	Metabotropic glutamate receptor 1	P23385	Grm1	Rattus norvegicus (Rat)	1199
15348	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
15347	Metabotropic glutamate receptor 5	P31424	Grm5	Rattus norvegicus (Rat)	1203
15349	Metabotropic glutamate receptor 5	P41594	GRM5	Homo sapiens (Human)	1212
15346	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382

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