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Ligand

NameNaltrindole
Molecular formulaC26H26N2O3
IUPAC name(1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight414.505
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.3
Synonyms111555-53-4
4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, [8R-(4bS*,8alpha,8abeta,14bbeta)]-
D08IXN
NIH 10589
C18128
[ Show all ]
Inchi KeyWIYUZYBFCWCCQJ-IFKAHUTRSA-N
Inchi IDInChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
PubChem CID5497186
ChEMBLCHEMBL567175
IUPHAR3829, 1641
BindingDB50370067
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: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
374587Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
374588Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
374590Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
374589Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
374591Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
374593Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
374595Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
374592Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
374594Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
374596Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
374597Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
374599Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401
374598Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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