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Ligand

NameCHEMBL292119
Molecular formulaC39H39N5O3
IUPAC name(1-tritylimidazol-4-yl)methyl N-[3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
Molecular weight625.773
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP7.1
SynonymsBDBM50289794
[2-(1H-Indol-3-yl)-1-isobutylcarbamoyl-ethyl]-carbamic acid 1-trityl-1H-imidazol-4-ylmethyl ester
Inchi KeyBHZNWCVELYRWOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H39N5O3/c1-28(2)23-41-37(45)36(22-29-24-40-35-21-13-12-20-34(29)35)43-38(46)47-26-33-25-44(27-42-33)39(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-21,24-25,27-28,36,40H,22-23,26H2,1-2H3,(H,41,45)(H,43,46)
PubChem CID10484081
ChEMBLCHEMBL292119
IUPHARN/A
BindingDB50289794
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24225Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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