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Ligand

NameCHEMBL378091
Molecular formulaC18H20N4O2S2
IUPAC name5-amino-N-tert-butyl-4-(3-hydroxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
Molecular weight388.504
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
SynonymsSCHEMBL4315364
BDBM50189774
KORCEMCZKYMFIO-UHFFFAOYSA-N
tert-Butyl 5-amino-2-methylthio-4-(3-hydroxyphenyl)-thieno[2,3-d]pyrimidine-6-carboxamide
N-tert-butyl-5-amino-4-(3-hydroxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
Inchi KeyKORCEMCZKYMFIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N4O2S2/c1-18(2,3)22-15(24)14-12(19)11-13(9-6-5-7-10(23)8-9)20-17(25-4)21-16(11)26-14/h5-8,23H,19H2,1-4H3,(H,22,24)
PubChem CID11531195
ChEMBLCHEMBL378091
IUPHARN/A
BindingDB50189774
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
174268Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
174269Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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