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Ligand

NameCHEMBL62612
Molecular formulaC22H24N4S
IUPAC name8-(4-benzylpiperazin-1-yl)-4,5-dimethyl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight376.522
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50407751
Inchi KeyBKNVUCYNQODGLA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4S/c1-16-17(2)27-22-20(16)23-21(19-9-6-10-26(19)22)25-13-11-24(12-14-25)15-18-7-4-3-5-8-18/h3-10H,11-15H2,1-2H3
PubChem CID10809561
ChEMBLCHEMBL62612
IUPHARN/A
BindingDB50407751
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
259575-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
259595-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
259585-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
259565-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
259555-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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