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Ligand

NameCHEMBL323258
Molecular formulaC31H46N4O4
IUPAC nameN-(3-cyclopentylpropyl)-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]piperidine-1-carboxamide
Molecular weight538.733
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP5.2
SynonymsBDBM50106988
N-(3-Cyclopentylpropyl)-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]-1-piperidinecarboxamide
4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid (3-cyclopentyl-propyl)-amide
Inchi KeyBHPUXRYSUZIAEJ-LJAQVGFWSA-N
Inchi IDInChI=1S/C31H46N4O4/c36-28-11-13-30(14-12-28)39-23-29(37)22-32-19-15-25-7-9-26(10-8-25)34-27-16-20-35(21-17-27)31(38)33-18-3-6-24-4-1-2-5-24/h7-14,24,27,29,32,34,36-37H,1-6,15-23H2,(H,33,38)/t29-/m0/s1
PubChem CID10302342
ChEMBLCHEMBL323258
IUPHARN/A
BindingDB50106988
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23953Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
23954Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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