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Ligand

NameCHEMBL49623
Molecular formulaC21H27NO2
IUPAC name4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Molecular weight325.452
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.9
Synonyms(+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol
(-)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol
(1R,2S)-2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propan-1-ol
(R,S)-IFENPRODIL
4-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol
[ Show all ]
Inchi KeyUYNVMODNBIQBMV-KKSFZXQISA-N
Inchi IDInChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
PubChem CID6604117
ChEMBLCHEMBL49623
IUPHARN/A
BindingDB50007674
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3488265-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
3488245-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
348829D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
348825D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
348823Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
348831Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
348828Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
348827Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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