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Ligand

NameCHEMBL3704567
Molecular formulaC19H18ClN3O5
IUPAC name3-[(6-chloro-2-oxo-1H-pyridin-3-yl)amino]-4-[[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino]cyclobut-3-ene-1,2-dione
Molecular weight403.819
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.2
Synonyms3-(6-chloro-2-hydroxypyridin-3-ylamino)-4-{[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione
AFJOTRXLUOFBJR-UHFFFAOYSA-N
SCHEMBL14895009
Inchi KeyAFJOTRXLUOFBJR-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18ClN3O5/c1-9-3-5-11(28-9)17(19(2)7-27-8-19)23-14-13(15(24)16(14)25)21-10-4-6-12(20)22-18(10)26/h3-6,17,21,23H,7-8H2,1-2H3,(H,22,26)
PubChem CID71525701
ChEMBLCHEMBL3704567
IUPHARN/A
BindingDB172360
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
463403C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
517340C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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