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Ligand

NameCHEMBL473921
Molecular formulaC30H36FN5O
IUPAC name[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridin-2-yl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
Molecular weight501.65
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50247157
SCHEMBL4700720
(3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)pyridin-2-yl)(4-(4-fluorophenylamino)piperidin-1-yl)methanone
{3-[4-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-phenyl]-pyridin-2-yl}-[4-(4-fluoro-phenylamino)-piperidin-1-yl]-methanone
Inchi KeyCYEIOVYZTVJICS-SZPZYZBQSA-N
Inchi IDInChI=1S/C30H36FN5O/c1-21-18-35(19-22(2)33-21)20-23-5-7-24(8-6-23)28-4-3-15-32-29(28)30(37)36-16-13-27(14-17-36)34-26-11-9-25(31)10-12-26/h3-12,15,21-22,27,33-34H,13-14,16-20H2,1-2H3/t21-,22+
PubChem CID16040587
ChEMBLCHEMBL473921
IUPHARN/A
BindingDB50247157
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53420Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
53419Motilin receptorO43193MLNRHomo sapiens (Human)412

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