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Ligand

NameCHEMBL464185
Molecular formulaC22H16F6N6O
IUPAC name3-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1H-imidazol-2-one
Molecular weight494.401
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50412817
Inchi KeyAMIXJYGFDLWFEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16F6N6O/c1-12-10-17(34-8-5-18(31-34)33-9-6-29-20(33)35)14-4-7-32(19(14)30-12)16-3-2-13(21(23,24)25)11-15(16)22(26,27)28/h2-3,5-6,8-11H,4,7H2,1H3,(H,29,35)
PubChem CID44589318
ChEMBLCHEMBL464185
IUPHARN/A
BindingDB50412817
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
8930Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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