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Ligand

NameLE 300
Molecular formulaC20H22N2
IUPAC name11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaene
Molecular weight290.41
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.3
Synonyms11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{15,20}]henicosa-1(14),3(8),4,6,15,17,19-heptaene
274694-98-3
3-Methyl-1,2,3,4,5,8-hexahydro-(14,15-[1,4]butanediylidene-(7,6-(iminoethano)-3-benzoazecine))-17-ene
6,7,8,9,14,15-Hexahydro-7-methyl-5H-indolo[3,2-f][3]benzazecine
7-methyl-6,7,8,9,14,15-hexahydro-5H-benzo[7,8]azecino[5,4-b]indole(LE 300)
[ Show all ]
Inchi KeyYEWGIGCYIAMFMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
PubChem CID4350931
ChEMBLCHEMBL441618
IUPHARN/A
BindingDB50088341
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4084385-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4084395-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
408447Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
408440D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
408441D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
408445D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
408436D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
408442D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
408444D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
408435D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
408446D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
408437Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
408443Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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