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Ligand

NameCHEMBL247356
Molecular formulaC25H31N3O5
IUPAC name3-[[2-[[(1R)-2,2-dimethyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight453.539
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.7
SynonymsSCHEMBL12262841
BDBM50211448
(R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)-2,2-dimethylpropylamino)-3,4-dioxocyclobut-1-enylamino)-N,N-dimethylbenzamide
Inchi KeyBRNMYMQVVHGBOR-QHCPKHFHSA-N
Inchi IDInChI=1S/C25H31N3O5/c1-13(2)14-11-17(33-12-14)23(25(3,4)5)27-19-18(21(30)22(19)31)26-16-10-8-9-15(20(16)29)24(32)28(6)7/h8-13,23,26-27,29H,1-7H3/t23-/m0/s1
PubChem CID44440873
ChEMBLCHEMBL247356
IUPHARN/A
BindingDB50211448
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
31153C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
31152C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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