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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	MLS001072368
Molecular formula	C23H26N4O
IUPAC name	[3-(3,4-dimethylanilino)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
Molecular weight	374.488
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.1
Synonyms	MolPort-005-008-443 CHEMBL1727648 SMR000653885 MCULE-3366187848 [3-(3,4-dimethylanilino)piperidino]-[3-(1H-imidazol-2-yl)phenyl]methanone BDBM79942 N-(3,4-dimethylphenyl)-1-[3-(1H-imidazol-2-yl)benzoyl]-3-piperidinamine cid_24819406 [3-(3,4-dimethylanilino)-1-piperidinyl]-[3-(1H-imidazol-2-yl)phenyl]methanone [3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone REGID_FOR_CID_24819406 HMS2949O23 [3-(3,4-dimethylanilino)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone [ Show all ]
Inchi Key	AFEKICQSZHIMRP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N4O/c1-16-8-9-20(13-17(16)2)26-21-7-4-12-27(15-21)23(28)19-6-3-5-18(14-19)22-24-10-11-25-22/h3,5-6,8-11,13-14,21,26H,4,7,12,15H2,1-2H3,(H,24,25)
PubChem CID	24819406
ChEMBL	CHEMBL1727648
IUPHAR	N/A
BindingDB	79942
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
4083	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
4082	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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