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Ligand

NameCHEMBL194632
Molecular formulaC37H47Br2N7O5
IUPAC nameN-[(2S)-1-[[(2R)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
Molecular weight829.635
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.3
SynonymsBDBM50173478
4-(2-Methoxy-phenyl)-piperidine-1-carboxylic acid [(S)-1-[(R)-5-amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentylcarbamoyl]-2-(3,5-dibromo-4-hydroxy-phenyl)-ethyl]-amide
Inchi KeyCVPWNBYUSUFFDB-ZWXJPIIXSA-N
Inchi IDInChI=1S/C37H47Br2N7O5/c1-51-33-8-3-2-6-28(33)26-11-16-46(17-12-26)37(50)43-32(24-25-22-29(38)34(47)30(39)23-25)35(48)42-31(7-4-5-13-40)36(49)45-20-18-44(19-21-45)27-9-14-41-15-10-27/h2-3,6,8-10,14-15,22-23,26,31-32,47H,4-5,7,11-13,16-21,24,40H2,1H3,(H,42,48)(H,43,50)/t31-,32+/m1/s1
PubChem CID44403857
ChEMBLCHEMBL194632
IUPHARN/A
BindingDB50173478
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
51711Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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