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Ligand

NameCHEMBL3704558
Molecular formulaC25H25N3O7
IUPAC name3-[[2-[[1,3-benzodioxol-5-yl-(3-methyloxetan-3-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight479.489
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.8
SynonymsSCHEMBL14896223
Inchi KeyAERTYNHXIVQLQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N3O7/c1-25(10-33-11-25)23(13-7-8-16-17(9-13)35-12-34-16)27-19-18(21(30)22(19)31)26-15-6-4-5-14(20(15)29)24(32)28(2)3/h4-9,23,26-27,29H,10-12H2,1-3H3
PubChem CID71525605
ChEMBLCHEMBL3704558
IUPHARN/A
BindingDB172350
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
463342C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
517334C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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