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Ligand

NameCP 96345
Molecular formulaC28H32N2O
IUPAC name(2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight412.577
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.4
SynonymsCP-96345
132746-60-2
UNII-W22ILA2I52
CP 96344
CP 96,345
[ Show all ]
Inchi KeyFLNYLINBEZROPL-NSOVKSMOSA-N
Inchi IDInChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
PubChem CID104943
ChEMBLCHEMBL16192
IUPHARN/A
BindingDB50000040
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
81436Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
81428Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
81431Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
81435Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
81429Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
81432Substance-K receptorP05363TACR2Bos taurus (Bovine)384
81433Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
81434Substance-K receptorP21452TACR2Homo sapiens (Human)398
81426Substance-P receptorP25103TACR1Homo sapiens (Human)407
81427Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
81430Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407
81437Substance-P receptorP30548Tacr1Mus musculus (Mouse)407

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