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Ligand

NameCHEMBL1940355
Molecular formulaC30H36ClN3O2S
IUPAC name[4-(4-chlorophenyl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight538.147
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50362449
Inchi KeyPBRDPTAWEZZLAO-KBTVXYBOSA-N
Inchi IDInChI=1S/C30H36ClN3O2S/c1-21(22-3-10-27(36-2)11-4-22)32-25-7-12-28(29(19-25)23-13-18-37-20-23)30(35)34-16-14-33(15-17-34)26-8-5-24(31)6-9-26/h3-6,8-11,13,18,20-21,25,28-29,32H,7,12,14-17,19H2,1-2H3/t21-,25-,28+,29-/m1/s1
PubChem CID57391210
ChEMBLCHEMBL1940355
IUPHARN/A
BindingDB50362449
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
255872Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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