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Ligand

NameCHEMBL403967
Molecular formulaC33H47ClFN5O2
IUPAC nameN-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
Molecular weight600.22
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50373507
Inchi KeyADDYZXQTBNTXEL-QXIHQKPUSA-N
Inchi IDInChI=1S/C33H47ClFN5O2/c1-22(2)31(36-30(41)14-15-37(5)6)26-8-7-9-29(35)32(26)38-16-18-39(19-17-38)33(42)28-21-40(23(3)4)20-27(28)24-10-12-25(34)13-11-24/h7-13,22-23,27-28,31H,14-21H2,1-6H3,(H,36,41)/t27-,28+,31-/m0/s1
PubChem CID44456027
ChEMBLCHEMBL403967
IUPHARN/A
BindingDB50373507
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
2155Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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