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Ligand

NameSCHEMBL805697
Molecular formulaC27H24F2N2O3
IUPAC name1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylic acid
Molecular weight462.497
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
SynonymsCHEMBL3655514
AGBWBDTYFZRHNJ-UHFFFAOYSA-N
BDBM101178
US8524917, 151
1-Benzyl-3-(3,4-difluorobenzylcarbamoyl)-2-isopropyl-1H-indole-6-carboxylic Acid
Inchi KeyAGBWBDTYFZRHNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24F2N2O3/c1-16(2)25-24(26(32)30-14-18-8-11-21(28)22(29)12-18)20-10-9-19(27(33)34)13-23(20)31(25)15-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,30,32)(H,33,34)
PubChem CID25060003
ChEMBLCHEMBL3655514
IUPHARN/A
BindingDB101178
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
4738Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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