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Ligand

NameCHEMBL3747317
Molecular formulaC27H39Cl2N3O4
IUPAC name(1R,2S,6R,14R,15R,16S)-N-(6-aminohexyl)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraene-16-carboxamide;dihydrochloride
Molecular weight540.526
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogPNone
SynonymsBDBM50135223
Inchi KeyAGHYRDXIWABZOH-CGBQWWFNSA-N
Inchi IDInChI=1S/C27H37N3O4.2ClH/c1-30-14-11-26-21-17-7-8-19(31)22(21)34-24(26)27(33-2)10-9-25(26,20(30)15-17)16-18(27)23(32)29-13-6-4-3-5-12-28;;/h7-10,18,20,24,31H,3-6,11-16,28H2,1-2H3,(H,29,32);2*1H/t18-,20-,24-,25-,26+,27-;;/m1../s1
PubChem CID127042865
ChEMBLCHEMBL3747317
IUPHARN/A
BindingDB50135223
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521606Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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