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Ligand

NameCHEMBL562781
Molecular formulaC23H25N3O4
IUPAC name3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N,4-trimethylbenzamide
Molecular weight407.47
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.0
Synonyms(R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1-enylamino)-2-hydroxy-N,N,4-trimethylbenzamide
BDBM50297740
SCHEMBL12086661
Inchi KeyAXLRSENOHOPWNY-MRXNPFEDSA-N
Inchi IDInChI=1S/C23H25N3O4/c1-5-16(14-9-7-6-8-10-14)24-18-19(22(29)21(18)28)25-17-13(2)11-12-15(20(17)27)23(30)26(3)4/h6-12,16,24-25,27H,5H2,1-4H3/t16-/m1/s1
PubChem CID44249825
ChEMBLCHEMBL562781
IUPHARN/A
BindingDB50297740
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
16837C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
16836C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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