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Ligand

NameCHEMBL65736
Molecular formulaC17H20N4S
IUPAC name8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight312.435
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50407773
Inchi KeyCYUNIDFFVZCUDT-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N4S/c1-2-15-16(18-14-5-11-22-17(14)21(15)6-1)20-9-7-19(8-10-20)12-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10,12H2
PubChem CID10852612
ChEMBLCHEMBL65736
IUPHARN/A
BindingDB50407773
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
539555-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
539545-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
539525-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
539515-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
539535-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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