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Ligand

NameCHEMBL245500
Molecular formulaC21H23N3O4S
IUPAC name2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(3-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular weight413.492
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
SynonymsSCHEMBL12262761
BDBM50211460
(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(3-methylthiophen-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide
Inchi KeyHKRHEFYVMVBQCG-CYBMUJFWSA-N
Inchi IDInChI=1S/C21H23N3O4S/c1-5-13(20-11(2)9-10-29-20)22-15-16(19(27)18(15)26)23-14-8-6-7-12(17(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
PubChem CID44440859
ChEMBLCHEMBL245500
IUPHARN/A
BindingDB50211460
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
117424C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
117425C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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