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Ligand

NameCHEMBL394899
Molecular formulaC24H29N3O5
IUPAC name3-[[2-[[(1R)-1-(4-tert-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
XlogP4.4
SynonymsSCHEMBL12262849
BDBM50211455
(R)-3-(2-(1-(4-tert-butylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyDCVPTCRKYYMBDG-OAHLLOKOSA-N
Inchi IDInChI=1S/C24H29N3O5/c1-7-15(17-11-13(12-32-17)24(2,3)4)25-18-19(22(30)21(18)29)26-16-10-8-9-14(20(16)28)23(31)27(5)6/h8-12,15,25-26,28H,7H2,1-6H3/t15-/m1/s1
PubChem CID10343142
ChEMBLCHEMBL394899
IUPHARN/A
BindingDB50211455
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
56777C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
56778C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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