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Ligand

NameCHEMBL303986
Molecular formulaC19H23N5OS
IUPAC name1-pyrrolidin-1-yl-2-[4-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)piperazin-1-yl]ethanone
Molecular weight369.487
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50407763
SCHEMBL7298957
Inchi KeyBGPSOKRQZWMDEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5OS/c25-17(22-6-1-2-7-22)14-21-9-11-23(12-10-21)18-16-4-3-8-24(16)19-15(20-18)5-13-26-19/h3-5,8,13H,1-2,6-7,9-12,14H2
PubChem CID10737848
ChEMBLCHEMBL303986
IUPHARN/A
BindingDB50407763
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
232865-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
232885-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
232845-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
232875-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
232855-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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