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Ligand

NameCHEMBL341681
Molecular formulaC28H27F2N3O3
IUPAC name(3,4-difluorophenyl)methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
Molecular weight491.539
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.2
SynonymsBDBM50422071
Inchi KeyAEZMPDNQDQJWHG-XDBZFTIUSA-N
Inchi IDInChI=1S/C28H27F2N3O3/c1-18(20-8-4-3-5-9-20)32-26(34)28(2,15-21-16-31-25-11-7-6-10-22(21)25)33-27(35)36-17-19-12-13-23(29)24(30)14-19/h3-14,16,18,31H,15,17H2,1-2H3,(H,32,34)(H,33,35)/t18-,28+/m0/s1
PubChem CID44358861
ChEMBLCHEMBL341681
IUPHARN/A
BindingDB50422071
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3973Substance-P receptorP25103TACR1Homo sapiens (Human)407

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