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Ligand

NameCHEMBL550945
Molecular formulaC21H23N3O4S
IUPAC name3-[[3,4-dioxo-2-[[(1R)-1-thiophen-2-ylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N,5-trimethylbenzamide
Molecular weight413.492
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
Synonyms(R)-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)cyclobut-1-enylamino)-2-hydroxy-N,N,5-trimethylbenzamide
BDBM50297744
SCHEMBL12262876
Inchi KeyFUPGNVXSBWHKCE-CYBMUJFWSA-N
Inchi IDInChI=1S/C21H23N3O4S/c1-5-13(15-7-6-8-29-15)22-16-17(20(27)19(16)26)23-14-10-11(2)9-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
PubChem CID45272064
ChEMBLCHEMBL550945
IUPHARN/A
BindingDB50297744
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
87628C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
87629C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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