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Ligand

NameCHEMBL121647
Molecular formulaC33H35F3N2O8
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
Molecular weight644.644
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyBQIKJIDBSQMONA-JWXSOKOXSA-N
Inchi IDInChI=1S/C31H34N2O6.C2HF3O2/c1-19(2)29(20-7-5-4-6-8-20)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21;3-2(4,5)1(6)7/h4-15,19,24,28-30H,16-18H2,1-3H3,(H,32,34)(H,35,36);(H,6,7)/t24-,28-,29?,30+;/m1./s1
PubChem CID44347211
ChEMBLCHEMBL121647
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30319Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
30318Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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