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Ligand

NameCHEMBL328573
Molecular formulaC19H22N2O
IUPAC nameN,N-dimethyl-1-[(4S,6R)-3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine
Molecular weight294.398
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL7858917
BDBM50146360
N,N-Dimethyl-2,3,3abeta,8-tetrahydro-1-oxa-12b-azadibenzo[e,h]azulene-2alpha-methanamine
Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetrahydro-1-oxa-12b-aza-dibenzo[e,h]azulen-2-yl)methyl]-amine
Inchi KeyBTSCZNWXJQSJIE-QFBILLFUSA-N
Inchi IDInChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
PubChem CID9839081
ChEMBLCHEMBL328573
IUPHARN/A
BindingDB50146360
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
326365-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
326355-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
326315-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
326305-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
32641Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
32633Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
32632Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
32642Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
32637D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
32639D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
32638D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
32640D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
32634Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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