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Ligand

NameCHEMBL198105
Molecular formulaC34H43Br2N7O5
IUPAC name(2S)-N-[(2R)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-3-(3,5-dibromo-4-hydroxyphenyl)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanamide
Molecular weight789.57
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.9
SynonymsBDBM50173476
(S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentyl]-3-(3,5-dibromo-4-hydroxy-phenyl)-2-{3-[2-(2-methoxy-phenyl)-ethyl]-ureido}-propionamide
Inchi KeyBXOQPDIPQMXQDO-WDYNHAJCSA-N
Inchi IDInChI=1S/C34H43Br2N7O5/c1-48-30-8-3-2-6-24(30)9-15-39-34(47)41-29(22-23-20-26(35)31(44)27(36)21-23)32(45)40-28(7-4-5-12-37)33(46)43-18-16-42(17-19-43)25-10-13-38-14-11-25/h2-3,6,8,10-11,13-14,20-21,28-29,44H,4-5,7,9,12,15-19,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t28-,29+/m1/s1
PubChem CID44403854
ChEMBLCHEMBL198105
IUPHARN/A
BindingDB50173476
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35290Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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