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Ligand

NameCHEMBL3577937
Molecular formulaC24H36F3N3O2
IUPAC nameN-[2-[[(1S,2R,4R)-2-butyl-4-[methyl(propan-2-yl)amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight455.566
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50089332
SCHEMBL5029668
Inchi KeyBCRSYZQXPRWUJQ-UIFIKXQLSA-N
Inchi IDInChI=1S/C24H36F3N3O2/c1-5-6-8-17-14-20(30(4)16(2)3)11-12-21(17)29-22(31)15-28-23(32)18-9-7-10-19(13-18)24(25,26)27/h7,9-10,13,16-17,20-21H,5-6,8,11-12,14-15H2,1-4H3,(H,28,32)(H,29,31)/t17-,20-,21+/m1/s1
PubChem CID69285794
ChEMBLCHEMBL3577937
IUPHARN/A
BindingDB50089332
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
465397C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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