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Ligand

NameSaredutant
Molecular formulaC31H35Cl2N3O2
IUPAC nameN-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Molecular weight552.54
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
SynonymsSR-48968
142001-63-6
SR 48968
SR48968
[3H]saredutant
[ Show all ]
Inchi KeyPGKXDIMONUAMFR-AREMUKBSSA-N
Inchi IDInChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
PubChem CID104974
ChEMBLCHEMBL308148
IUPHAR3481, 2111
BindingDB50071484
DrugBankDB06660

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
259147Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
554560Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
259144Substance-K receptorP21452TACR2Homo sapiens (Human)398
259145Substance-K receptorP05363TACR2Bos taurus (Bovine)384
259146Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
259149Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
259150Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
259152Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
259143Substance-P receptorP25103TACR1Homo sapiens (Human)407
259151Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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