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Ligand

NameCHEMBL332109
Molecular formulaC38H37F3N2O8
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[bis(2-methylphenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
Molecular weight706.715
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyAVYPDSIWNYBNQV-ADGGOKABSA-N
Inchi IDInChI=1S/C36H36N2O6.C2HF3O2/c1-22-8-4-6-10-27(22)34(28-11-7-5-9-23(28)2)37-32(39)20-38-19-29(25-14-17-30-31(18-25)44-21-43-30)33(36(40)41)35(38)24-12-15-26(42-3)16-13-24;3-2(4,5)1(6)7/h4-18,29,33-35H,19-21H2,1-3H3,(H,37,39)(H,40,41);(H,6,7)/t29-,33-,35+;/m1./s1
PubChem CID44347374
ChEMBLCHEMBL332109
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
15769Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
15770Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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