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Ligand

NameMLS000084601
Molecular formulaC17H12ClN7S
IUPAC name3-(benzotriazol-1-ylmethyl)-6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Molecular weight381.842
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
Synonyms3-(benzotriazol-1-ylmethyl)-6-(4-chlorobenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CCG-144722
MolPort-002-017-187
AC1LDHP3
cid_667251
[ Show all ]
Inchi KeyAICXERJZAYCHGW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H12ClN7S/c18-12-7-5-11(6-8-12)9-16-22-25-15(20-21-17(25)26-16)10-24-14-4-2-1-3-13(14)19-23-24/h1-8H,9-10H2
PubChem CID667251
ChEMBLCHEMBL1420950
IUPHARN/A
BindingDBN/A
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
6108Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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