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Ligand

NameMLS000122330
Molecular formulaC23H25ClN6S
IUPAC name1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
Molecular weight453.005
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.3
Synonymscid_3193699
AKOS024317254
1-(1-tert-butyl-5-tetrazolyl)-N-[(2-chlorophenyl)methyl]-N-(3-pyridinylmethyl)-1-thiophen-2-ylmethanamine
[(1-tert-Butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-(2-chloro-benzyl)-pyridin-3-ylmethyl-amine
AC1MLEZ6
[ Show all ]
Inchi KeyBHRDJGZWRNNORC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25ClN6S/c1-23(2,3)30-22(26-27-28-30)21(20-11-7-13-31-20)29(15-17-8-6-12-25-14-17)16-18-9-4-5-10-19(18)24/h4-14,21H,15-16H2,1-3H3
PubChem CID3193699
ChEMBLCHEMBL1432870
IUPHARN/A
BindingDB61421
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23988G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
23990Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
23989Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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