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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	CHEMBL104985
Molecular formula	C14H18ClN3O
IUPAC name	5-chloro-7-methyl-2-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazole
Molecular weight	279.768
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	BDBM50066000 HUKVXBOLNLWFQV-UHFFFAOYSA-N 5-chloro-7-methyl-2-(4-methyl-1-homopiperazinyl)benzoxazole SCHEMBL2743725 5-Chloro-7-methyl-2-(4-methyl-[1,4]diazepan-1-yl)-benzooxazole 2-(4-Methylhexahydro-1H-1,4-diazepine-1-yl)-5-chloro-7-methylbenzoxazole [ Show all ]
Inchi Key	HUKVXBOLNLWFQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18ClN3O/c1-10-8-11(15)9-12-13(10)19-14(16-12)18-5-3-4-17(2)6-7-18/h8-9H,3-7H2,1-2H3
PubChem CID	9795675
ChEMBL	CHEMBL104985
IUPHAR	N/A
BindingDB	N/A
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
124415	5-hydroxytryptamine receptor 1A	Q64264	Htr1a	Mus musculus (Mouse)	421
124413	5-hydroxytryptamine receptor 1F	P30940	Htr1f	Rattus norvegicus (Rat)	366
124418	5-hydroxytryptamine receptor 2A	Q75Z89	HTR2A	Bos taurus (Bovine)	470
124414	5-hydroxytryptamine receptor 4	Q13639	HTR4	Homo sapiens (Human)	388
124419	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
124412	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
124411	Beta-2 adrenergic receptor	P54833	ADRB2	Canis lupus familiaris (Dog)	415
124416	D(1A) dopamine receptor	Q61616	Drd1	Mus musculus (Mouse)	446
124410	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
124417	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589

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