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Ligand

NameCHEMBL473959
Molecular formulaC19H16F3N3O5
IUPAC name3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight423.348
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP2.9
SynonymsSCHEMBL12262977
BDBM50248279
(S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(furan-2-yl)ethylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyHEBGAKBUHZNNIN-KRWDZBQOSA-N
Inchi IDInChI=1S/C19H16F3N3O5/c1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11/h3-8,17,23-24,26H,1-2H3/t17-/m0/s1
PubChem CID42642630
ChEMBLCHEMBL473959
IUPHARN/A
BindingDB50248279
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
112557C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
112556C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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