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Ligand

NameCHEMBL1173061
Molecular formulaC22H19N5O2S2
IUPAC name10-(benzenesulfonyl)-N-(1-phenylpropan-2-yl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
Molecular weight449.547
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
SynonymsC22H19N5O2S2
N-(1-methyl-2-phenylethyl)-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
N-(1-phenylpropan-2-yl)-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
MolPort-003-072-835
HMS3473M05
[ Show all ]
Inchi KeyAEIPBBCXMJIOKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19N5O2S2/c1-15(14-16-8-4-2-5-9-16)23-20-19-18(12-13-30-19)27-21(24-20)22(25-26-27)31(28,29)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,23,24)
PubChem CID18560541
ChEMBLCHEMBL1173061
IUPHARN/A
BindingDB50322173
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
35035-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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