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Ligand

NameCHEMBL3704556
Molecular formulaC25H27N3O6
IUPAC name2-hydroxy-3-[[2-[[(3-methoxyphenyl)-(3-methyloxetan-3-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
Molecular weight465.506
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.0
SynonymsSCHEMBL14894912
Inchi KeyCQIBRHQYWMKXCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O6/c1-25(12-34-13-25)23(14-7-5-8-15(11-14)33-4)27-19-18(21(30)22(19)31)26-17-10-6-9-16(20(17)29)24(32)28(2)3/h5-11,23,26-27,29H,12-13H2,1-4H3
PubChem CID71525511
ChEMBLCHEMBL3704556
IUPHARN/A
BindingDB172348
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
468836C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
517551C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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