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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	AC1NKK02
Molecular formula	C25H28ClN5O2S
IUPAC name	14-(3-chlorophenyl)-15-[2-(dimethylamino)ethylamino]-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one
Molecular weight	498.042
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.2
Synonyms	SMR000440104 CHEMBL1606167 MLS000758887 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one STK572023 AKOS005497479 HMS2795M18 MolPort-002-641-254 9-(3-chlorophenyl)-10-{[2-(dimethylamino)ethyl]amino}-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one ZINC13135661 MCULE-9894628179 896842-41-4 [ Show all ]
Inchi Key	ADXARCXDEYSJEG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H28ClN5O2S/c1-14-18-13-33-25(2,3)12-17(18)19-20-21(34-22(19)28-14)23(32)31(16-8-6-7-15(26)11-16)24(29-20)27-9-10-30(4)5/h6-8,11H,9-10,12-13H2,1-5H3,(H,27,29)
PubChem CID	4889414
ChEMBL	CHEMBL1606167
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
3193	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
3194	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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