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Ligand

NameCHEMBL107382
Molecular formulaC30H36F2N4O4
IUPAC nameN-[(2,5-difluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]piperidine-1-carboxamide
Molecular weight554.639
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP4.0
SynonymsBDBM50106985
4-(4-[2-[(2S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid 2,5-difluoro-benzylamide
N-(2,5-Difluorobenzyl)-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]-1-piperidinecarboxamide
4-(4-{2-[(2S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic Acid 2,5-difluoro-benzylamide
SCHEMBL7094866
[ Show all ]
Inchi KeyATODTSRMPBDUGC-MHZLTWQESA-N
Inchi IDInChI=1S/C30H36F2N4O4/c31-23-3-10-29(32)22(17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-4-1-21(2-5-24)11-14-33-19-27(38)20-40-28-8-6-26(37)7-9-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1
PubChem CID10209574
ChEMBLCHEMBL107382
IUPHARN/A
BindingDB50106985
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
14151Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
14152Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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