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Ligand

NameCHEMBL246106
Molecular formulaC24H29N3O5
IUPAC name3-[[2-[[(1R)-1-(4-butylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight439.512
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.6
SynonymsSCHEMBL12087109
BDBM50211453
(R)-3-(2-(1-(4-butylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyDYCPTIVMRFRWPY-MRXNPFEDSA-N
Inchi IDInChI=1S/C24H29N3O5/c1-5-7-9-14-12-18(32-13-14)16(6-2)25-19-20(23(30)22(19)29)26-17-11-8-10-15(21(17)28)24(31)27(3)4/h8,10-13,16,25-26,28H,5-7,9H2,1-4H3/t16-/m1/s1
PubChem CID10478354
ChEMBLCHEMBL246106
IUPHARN/A
BindingDB50211453
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
71874C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
71875C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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