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Ligand

NameASN 06224758
Molecular formulaC22H29N3S2
IUPAC name1-(2,3-dimethylphenyl)-3-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
Molecular weight399.615
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.0
SynonymsAC1MLDFV
1-(2,3-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9-aza-bicyclo[3.3.1]non-3-yl)-thiourea
MLS000549812
AKOS000776474
CHEMBL1364654
[ Show all ]
Inchi KeyACWGGJWVAVVDSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29N3S2/c1-15-6-3-10-21(16(15)2)24-22(26)23-17-12-18-7-4-8-19(13-17)25(18)14-20-9-5-11-27-20/h3,5-6,9-11,17-19H,4,7-8,12-14H2,1-2H3,(H2,23,24,26)
PubChem CID3218183
ChEMBLCHEMBL1364654
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
1989Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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