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Ligand

NameCHEMBL12933
Molecular formulaC25H29N3O2S
IUPAC name3-[5-(4-phenylpiperazin-1-yl)pentyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Molecular weight435.586
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50403778
2-[5-(4-Phenylpiperazino)pentyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Inchi KeyABULGJVJGNYVCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O2S/c29-31(30)24-14-8-10-21-9-7-13-23(25(21)24)28(31)16-6-2-5-15-26-17-19-27(20-18-26)22-11-3-1-4-12-22/h1,3-4,7-14H,2,5-6,15-20H2
PubChem CID11259115
ChEMBLCHEMBL12933
IUPHARN/A
BindingDB50403778
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
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GLASS IDNameUniProtGeneSpeciesLength
11945-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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