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Ligand

NameCHEMBL94834
Molecular formulaC43H44F4N4O5
IUPAC name[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-[1-[2-[3-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]methanone
Molecular weight772.842
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP7.8
Synonyms[3-(2-{4-[1-(4-Fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-3-(4-trifluoromethyl-phenyl)-pyrrolidin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
BDBM50290708
SCHEMBL1387151
Inchi KeyBEYBSSSCFNIKNG-UHFFFAOYSA-N
Inchi IDInChI=1S/C43H44F4N4O5/c1-54-36-24-30(25-37(55-2)39(36)56-3)41(53)50-23-19-42(27-50,31-10-12-32(13-11-31)43(45,46)47)18-22-49-20-16-29(17-21-49)38(52)40-48-34-6-4-5-7-35(34)51(40)26-28-8-14-33(44)15-9-28/h4-15,24-25,29H,16-23,26-27H2,1-3H3
PubChem CID15542673
ChEMBLCHEMBL94834
IUPHARN/A
BindingDB50290708
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22032Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
22031Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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