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Ligand

NameCHEMBL384138
Molecular formulaC22H24Cl2F3N3O
IUPAC name1-[4-[2-(1-aminoethyl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
Molecular weight474.349
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50189214
1-(4-(2-(1-aminoethyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one
Inchi KeyALICJAVKXRNQDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24Cl2F3N3O/c1-14(28)18-12-16(22(25,26)27)4-6-20(18)29-8-10-30(11-9-29)21(31)7-3-15-2-5-17(23)13-19(15)24/h2,4-6,12-14H,3,7-11,28H2,1H3
PubChem CID44415521
ChEMBLCHEMBL384138
IUPHARN/A
BindingDB50189214
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
8289Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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