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Ligand

NameCHEMBL353979
Molecular formulaC26H35NO4
IUPAC name5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Molecular weight425.569
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsAC1NBCLQ
BDBM50076002
L000734
2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl)-2-propanol
Inchi KeyOIJXLIIMXHRJJH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3
PubChem CID4491165
ChEMBLCHEMBL353979
IUPHARN/A
BindingDB50076002
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
242112Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
242114Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
242111Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
242113Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
556413Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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