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Ligand

NameMLS000849868
Molecular formulaC15H17N3OS
IUPAC name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
Molecular weight287.381
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.5
SynonymsSMR000455886
N-bicyclo[2.2.1]hept-5-en-2-yl-2-[(2-hydroxyphenyl)methylene]-1-hydrazinecarbothioamide
1-(5-bicyclo[2.2.1]hept-2-enyl)-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
MLS003115380
NSC268697
[ Show all ]
Inchi KeyAAIIZTWLPBIJGA-CXUHLZMHSA-N
Inchi IDInChI=1S/C15H17N3OS/c19-14-4-2-1-3-12(14)9-16-18-15(20)17-13-8-10-5-6-11(13)7-10/h1-6,9-11,13,19H,7-8H2,(H2,17,18,20)/b16-9+
PubChem CID135488769
ChEMBLCHEMBL1972143
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557313Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
557314Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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