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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	AQ-RA 741
Molecular formula	C27H37N5O2
IUPAC name	11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight	463.626
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	11-[2-[4-(4-diethylaminobutyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one B7003 CHEBI:93432 HMS3268J04 RT-011305 11-[[4-[4-(DIETHYLAMINO)BUTYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPIN-6-ONE AJ-45632 BN0714 CTK4B3549 MolPort-003-983-884 11-(2-(4-(4-(Diethylamino)butyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11-[2-[4-[4-(diethylamino)butyl]-1-piperidinyl]acetyl]-5,11-dihydro- AQ-RA-741 CAS_129989 FT-0713599 PDSP1_000964 11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one AC1L2WKT BCUGCHZRMKTPMU-UHFFFAOYSA-N J-004950 SCHEMBL7550095 123548-16-3 AKOS022180221 BRD-K81729199-001-01-0 D0VZ3D NCGC00092359-01 11-(2-(4-(4-(Diethylamino)butyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one11-(2-(4-(4-(Diethylamino)butyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one AQ-RA-741BS CC-03736 GTPL8584 PDSP2_000948 11-[[4-[4-(Diethylamino)butyl]-1-piperidinyl]acetyl]- 5,11-dihydro-6H-pyrido [2,3-b][1,4]benzodiazepin-6- one ACMC-20ej93 BDBM81900 CHEMBL43383 KB-270783 ZINC3794612 11-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-5,11-dihydro- C-35501 DTXSID60154038 NSC_129989 [ Show all ]
Inchi Key	BCUGCHZRMKTPMU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,7-8,10,14-15,17-20H2,1-2H3,(H,29,34)
PubChem CID	129989
ChEMBL	CHEMBL43383
IUPHAR	8584
BindingDB	81900
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
20537	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
20539	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
20540	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
20541	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
20544	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
20545	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
20538	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478
20543	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
20542	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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