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Ligand

NameCHEMBL27251
Molecular formulaC18H18N2
IUPAC name(6S,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-amine
Molecular weight262.356
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.6
Synonyms6-Methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine
BDBM50087024
(1S)-6-Methyl-1,5,5aalpha,6,7,8-hexahydro-6-azabenzo[mno]aceanthrylene-1beta-amine
(1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine
Inchi KeyDAKGDRVNCPHAPY-KDOFPFPSSA-N
Inchi IDInChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
PubChem CID10084076
ChEMBLCHEMBL27251
IUPHARN/A
BindingDB50087024
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
551015-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
551025-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
551075-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
551005-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
551065-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
55103Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
55099Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
55104D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
55105D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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