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Ligand

NameCHEMBL63289
Molecular formulaC16H18N4O2S
IUPAC nameethyl 4-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)piperazine-1-carboxylate
Molecular weight330.406
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50407761
SCHEMBL7295524
Inchi KeyDLRDSROWZPGGDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N4O2S/c1-2-22-16(21)19-9-7-18(8-10-19)14-13-4-3-6-20(13)15-12(17-14)5-11-23-15/h3-6,11H,2,7-10H2,1H3
PubChem CID10687868
ChEMBLCHEMBL63289
IUPHARN/A
BindingDB50407761
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
632705-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
632725-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
632695-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
632715-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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