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Ligand

NameCHEMBL3697135
Molecular formulaC29H35ClN2O6
IUPAC name(1R,3R)-3-[[[(1S)-1-(4-chlorophenyl)ethyl]-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]cyclopentane-1-carboxylic acid
Molecular weight543.057
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.5
SynonymsUS9073853, 99
BDBM166540
SCHEMBL15005214
Inchi KeyAPXRSUDGZXWFQY-MIZPHKNDSA-N
Inchi IDInChI=1S/C29H35ClN2O6/c1-19(22-6-8-24(30)9-7-22)31(17-20-3-5-23(15-20)29(35)36)18-21-4-10-25(26(16-21)37-2)38-14-13-32-27(33)11-12-28(32)34/h4,6-10,16,19-20,23H,3,5,11-15,17-18H2,1-2H3,(H,35,36)/t19-,20+,23+/m0/s1
PubChem CID71586304
ChEMBLCHEMBL3697135
IUPHARN/A
BindingDB166540
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
464276C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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