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Ligand

NameCHEMBL254176
Molecular formulaC24H24N4O4
IUPAC name3-[[2-[[(1R)-1-(3-cyano-5-methylphenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight432.48
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
Synonyms(R)-3-(2-(1-(3-cyano-5-methylphenyl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
BDBM50236068
Inchi KeyBPLMGFVUJVLECU-QGZVFWFLSA-N
Inchi IDInChI=1S/C24H24N4O4/c1-5-17(15-10-13(2)9-14(11-15)12-25)26-19-20(23(31)22(19)30)27-18-8-6-7-16(21(18)29)24(32)28(3)4/h6-11,17,26-27,29H,5H2,1-4H3/t17-/m1/s1
PubChem CID44447967
ChEMBLCHEMBL254176
IUPHARN/A
BindingDB50236068
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
29672C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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