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Ligand

NameCHEMBL2182050
Molecular formulaC30H28F3N5O5S
IUPAC name[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-[3-methyl-5-[4-[4-[1-(methylsulfonylcarbamoyl)cyclopropyl]phenyl]phenyl]triazol-4-yl]carbamate
Molecular weight627.639
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.8
SynonymsSCHEMBL16706499
IKJZZCLSUSZHFO-GOSISDBHSA-N
BDBM50398090
{5-[4'-(1-methane-sulfonylamino carbonyl-cyclopropyl)-biphenyl-4-yl]-3-methyl-3H-[1,2,3]triazol-4-yl}-carbamic acid (R)-1-(3-trifluoromethyl-phenyl)-ethyl ester
Inchi KeyIKJZZCLSUSZHFO-GOSISDBHSA-N
Inchi IDInChI=1S/C30H28F3N5O5S/c1-18(22-5-4-6-24(17-22)30(31,32)33)43-28(40)34-26-25(35-37-38(26)2)21-9-7-19(8-10-21)20-11-13-23(14-12-20)29(15-16-29)27(39)36-44(3,41)42/h4-14,17-18H,15-16H2,1-3H3,(H,34,40)(H,36,39)/t18-/m1/s1
PubChem CID71457481
ChEMBLCHEMBL2182050
IUPHARN/A
BindingDB50398090
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
135410Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
135411Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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