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Ligand

NameCHEMBL412746
Molecular formulaC28H34N2OS
IUPAC name3-(5-methyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
Molecular weight446.653
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.8
SynonymsN/A
Inchi KeyAOOWQPDVZRRXBK-RSXGOPAZSA-N
Inchi IDInChI=1S/C28H34N2OS/c1-21-11-13-27-25(18-21)23(20-32-27)12-14-28(31)30-17-7-10-24(22-8-3-2-4-9-22)26(30)19-29-15-5-6-16-29/h2-4,8-9,11,13,18,20,24,26H,5-7,10,12,14-17,19H2,1H3/t24-,26+/m1/s1
PubChem CID44448361
ChEMBLCHEMBL412746
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10458Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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