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Ligand

NameCHEMBL2336069
Molecular formulaC29H35F3N2O3
IUPAC name3-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-cyclopropylphenyl]methylamino]propanoic acid
Molecular weight516.605
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.6
SynonymsSCHEMBL1566887
BDBM50428144
Inchi KeyAMTXHXVQBKEMOV-ALQBTCKLSA-N
Inchi IDInChI=1S/C29H35F3N2O3/c1-19(23-10-11-24(17-33-14-13-28(35)36)26(16-23)22-8-9-22)34-37-18-20-7-12-25(21-5-3-2-4-6-21)27(15-20)29(30,31)32/h7,10-12,15-16,21-22,33H,2-6,8-9,13-14,17-18H2,1H3,(H,35,36)/b34-19+
PubChem CID57570486
ChEMBLCHEMBL2336069
IUPHARN/A
BindingDB50428144
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9257Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
9256Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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