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Ligand

NameCHEMBL254370
Molecular formulaC22H23N3O4
IUPAC name3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight393.443
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.6
SynonymsBDBM50236053
SCHEMBL247103
(R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyILEJORXRDPNPIM-OAHLLOKOSA-N
Inchi IDInChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m1/s1
PubChem CID10200589
ChEMBLCHEMBL254370
IUPHARN/A
BindingDB50236053
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
135914C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
135915C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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