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Ligand

NameCHEMBL401512
Molecular formulaC22H22FN3O4
IUPAC name3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight411.433
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
SynonymsSCHEMBL12260490
BDBM50200885
(R)-3-(2-(1-(3-fluorophenyl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyDRBFDAYBUUMUHY-OAHLLOKOSA-N
Inchi IDInChI=1S/C22H22FN3O4/c1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3/h5-11,15,24-25,27H,4H2,1-3H3/t15-/m1/s1
PubChem CID10201676
ChEMBLCHEMBL401512
IUPHARN/A
BindingDB50200885
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
66795C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
66796C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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