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Ligand

NameCHEMBL553000
Molecular formulaC33H36Cl2N4O3S
IUPAC name(3R,4R)-N-[(2S)-4-[6-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]butan-2-yl]-4-phenylpiperidine-3-carboxamide;hydrochloride
Molecular weight639.636
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyAJGOIOKVJLEJPW-BGSGGWNSSA-N
Inchi IDInChI=1S/C33H35ClN4O3S.ClH/c1-22(36-32(39)30-21-35-19-18-29(30)23-6-4-3-5-7-23)8-9-24-20-31(42-28-16-10-25(34)11-17-28)37-38(33(24)40)26-12-14-27(41-2)15-13-26;/h3-7,10-17,20,22,29-30,35H,8-9,18-19,21H2,1-2H3,(H,36,39);1H/t22-,29-,30-;/m0./s1
PubChem CID45265276
ChEMBLCHEMBL553000
IUPHARN/A
BindingDBN/A
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
6897Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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