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Ligand

NameCHEMBL514717
Molecular formulaC21H13F6N5O2S2
IUPAC name1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3H-[1,2]thiazolo[3,4-b]pyridine 2,2-dioxide
Molecular weight545.478
Hydrogen bond acceptor13
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50413234
Inchi KeyAQBSWKMODLRFGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H13F6N5O2S2/c1-11-8-17(31-6-4-15(30-31)19-28-5-7-35-19)13-10-36(33,34)32(18(13)29-11)16-3-2-12(20(22,23)24)9-14(16)21(25,26)27/h2-9H,10H2,1H3
PubChem CID25149345
ChEMBLCHEMBL514717
IUPHARN/A
BindingDB50413234
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
11557Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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