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Ligand

NameCHEMBL269898
Molecular formulaC25H30F3N3O2
IUPAC nameN-[2-[[(1S,2S)-2-[(2,4-dimethylphenyl)methylamino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight461.529
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50371422
SCHEMBL3896836
Inchi KeyBAOSLOOKYHKWIN-VXKWHMMOSA-N
Inchi IDInChI=1S/C25H30F3N3O2/c1-16-10-11-19(17(2)12-16)14-29-21-8-3-4-9-22(21)31-23(32)15-30-24(33)18-6-5-7-20(13-18)25(26,27)28/h5-7,10-13,21-22,29H,3-4,8-9,14-15H2,1-2H3,(H,30,33)(H,31,32)/t21-,22-/m0/s1
PubChem CID10115566
ChEMBLCHEMBL269898
IUPHARN/A
BindingDB50371422
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19041C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
19040C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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