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Ligand

NameCHEMBL3956663
Molecular formulaC24H27N3O7
IUPAC name3-[[2-[[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(5-methylfuran-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight469.494
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.5
SynonymsSCHEMBL14904770
Inchi KeyBBFTWAOVJHOJQP-BHWOMJMDSA-N
Inchi IDInChI=1S/C24H27N3O7/c1-12-9-10-15(33-12)17(16-11-32-24(2,3)34-16)26-19-18(21(29)22(19)30)25-14-8-6-7-13(20(14)28)23(31)27(4)5/h6-10,16-17,25-26,28H,11H2,1-5H3/t16-,17?/m0/s1
PubChem CID71526251
ChEMBLCHEMBL3956663
IUPHARN/A
BindingDB236783
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
536473C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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