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Ligand

NameCHEMBL515070
Molecular formulaC20H16ClN5O2S2
IUPAC name2-[1-[1-(2-chloro-4-methylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
Molecular weight457.951
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50413210
Inchi KeyARKSLNIFOGBPCH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16ClN5O2S2/c1-30(27,28)13-2-3-18(15(21)12-13)25-9-5-14-17(4-7-22-19(14)25)26-10-6-16(24-26)20-23-8-11-29-20/h2-4,6-8,10-12H,5,9H2,1H3
PubChem CID44589256
ChEMBLCHEMBL515070
IUPHARN/A
BindingDB50413210
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
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GLASS IDNameUniProtGeneSpeciesLength
12556Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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