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Ligand

NameCHEMBL3314356
Molecular formulaC22H23F3N4O
IUPAC name[6-[(dimethylamino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-2-yl]methanone
Molecular weight416.448
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50045840
Inchi KeyVGJDJTDQWBICRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23F3N4O/c1-27(2)12-14-4-5-16-13-29(7-6-15(16)8-14)21(30)18-9-17-10-20(22(23,24)25)26-11-19(17)28(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
PubChem CID118707557
ChEMBLCHEMBL3314356
IUPHARN/A
BindingDB50045840
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
455797Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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