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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	MLS000577677
Molecular formula	C24H28N4O
IUPAC name	(Z)-3-[4-(diethylamino)-2-propan-2-yloxyphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Molecular weight	388.515
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.3
Synonyms	(Z)-3-[4-(diethylamino)-2-propan-2-yloxyphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile CHEMBL1353925 ZINC13130753 5526-78-3 HMS2475A14 (Z)-3-[4-(diethylamino)-2-isopropoxy-phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile BDBM50964 REGID_for_CID_5334290 (Z)-3-[4-(diethylamino)-2-propan-2-yloxyphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile cid_5334290 AC1NSHNN (Z)-3-[4-(diethylamino)-2-propan-2-yloxy-phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile SMR000186091 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile DTXSID40416469 (Z)-3-(4-DIETHYLAMINO-2-ISOPROPOXY-PHENYL)-2-(5-METHYL-1H-BENZIMIDAZOL-2-YL)-ACRYLONITRILE AKOS024354048 MolPort-002-154-028 [ Show all ]
Inchi Key	CHSZSBKIAWWNAY-UYRXBGFRSA-N
Inchi ID	InChI=1S/C24H28N4O/c1-6-28(7-2)20-10-9-18(23(14-20)29-16(3)4)13-19(15-25)24-26-21-11-8-17(5)12-22(21)27-24/h8-14,16H,6-7H2,1-5H3,(H,26,27)/b19-13-
PubChem CID	5334290
ChEMBL	CHEMBL1353925
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
42271	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
42272	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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