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Ligand

NameTCMDC-124336
Molecular formulaC16H14N4S2
IUPAC name6-(4-ethylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Molecular weight326.436
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
Synonyms6-(4-ethylphenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
cid_2999101
ZINC4163948
AC1MHB0W
MLS000098743
[ Show all ]
Inchi KeyAUIQVDGWXRAVOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H14N4S2/c1-2-11-5-7-12(8-6-11)13-10-22-16-18-17-15(20(16)19-13)14-4-3-9-21-14/h3-9H,2,10H2,1H3
PubChem CID2999101
ChEMBLCHEMBL527271
IUPHARN/A
BindingDB49029
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
14666D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
14667Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
14665Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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