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Ligand

NameCHEMBL598037
Molecular formulaC20H21NO2
IUPAC name(12R)-5,13-dimethyl-4-oxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaen-18-ol
Molecular weight307.393
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.6
SynonymsN-Methyl-2-hydroxy-2''-methyl-2'',3''-dihydrofuro[m]aporphine
BDBM50309822
Inchi KeyABIBRCKITSKLRK-DFDFJRDNSA-N
Inchi IDInChI=1S/C20H21NO2/c1-11-7-14-4-3-12-9-17-18-13(5-6-21(17)2)8-15(22)10-16(18)19(12)20(14)23-11/h3-4,8,10-11,17,22H,5-7,9H2,1-2H3/t11?,17-/m1/s1
PubChem CID46231118
ChEMBLCHEMBL598037
IUPHARN/A
BindingDB50309822
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8775-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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