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Ligand

NameCHEMBL512896
Molecular formulaC23H30N2O2
IUPAC name(7R,9S)-7-[[(3S,4S)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
Molecular weight366.505
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
Synonyms(7R,9S)-7-(((3S,4S)-3-hydroxy-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
BDBM50243728
SCHEMBL6014222
Inchi KeyBIPYJOQSCUNINC-KDXIVRHGSA-N
Inchi IDInChI=1S/C23H30N2O2/c1-16-5-2-3-7-19(16)20-10-12-25(15-22(20)27)14-17-8-9-18-6-4-11-24-23(18)21(26)13-17/h2-7,11,17,20-22,26-27H,8-10,12-15H2,1H3/t17-,20+,21+,22-/m1/s1
PubChem CID11462727
ChEMBLCHEMBL512896
IUPHARN/A
BindingDB50243728
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
24652Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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