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Ligand

Name850914-98-6
Molecular formulaC20H23N7O2S2
IUPAC name8-[benzyl(methyl)amino]-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Molecular weight457.571
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.8
SynonymsIDI1_004337
UPCMLD0ENAT5831691:001
AC1LDFZE
MLS000101188
8-[benzyl(methyl)amino]-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
[ Show all ]
Inchi KeyAEFDHGJQUSAVJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N7O2S2/c1-13-22-23-19(31-13)30-11-10-27-15-16(25(3)20(29)26(4)17(15)28)21-18(27)24(2)12-14-8-6-5-7-9-14/h5-9H,10-12H2,1-4H3
PubChem CID666437
ChEMBLCHEMBL1470943
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3399Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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