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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	CHEMBL226876
Molecular formula	C25H29ClN4O2S
IUPAC name	3-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Molecular weight	485.043
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.3
Synonyms	AKOS002087814 MLS000621777 3-(4-chlorobenzyl)-N-(3-(4-methylpiperidin-1-yl)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide SR-01000558611 HMS624D12 BDBM50197623 MolPort-007-910-994 3-(4-chlorobenzyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide ChemDiv1_013102 SR-01000558611-1 AC1O7QCG MCULE-6523449647 SMR000310704 3-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide cid_6616154 ZINC13118827 [ Show all ]
Inchi Key	DBDVPOWGJBLQMN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29ClN4O2S/c1-17-9-13-29(14-10-17)12-2-11-27-23(31)19-5-8-21-22(15-19)28-25(33)30(24(21)32)16-18-3-6-20(26)7-4-18/h3-8,15,17H,2,9-14,16H2,1H3,(H,27,31)(H,28,33)
PubChem CID	6616154
ChEMBL	CHEMBL226876
IUPHAR	N/A
BindingDB	50197623
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
55561	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
55560	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418

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