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Ligand

NameCHEMBL152239
Molecular formulaC27H29FN2
IUPAC name(2R,3R)-2-benzhydryl-N-[(2-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight400.541
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50280466
[(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-(2-fluoro-benzyl)-amine
Inchi KeyAWHGFLZRMMYOLB-KAYWLYCHSA-N
Inchi IDInChI=1S/C27H29FN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1
PubChem CID15037918
ChEMBLCHEMBL152239
IUPHARN/A
BindingDB50280466
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16017Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
16018Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
16019Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
16020Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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