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Ligand

NameCID 136036526
Molecular formulaC21H24FN5O3S
IUPAC name3-[[4-[(1R)-1-(3-fluorophenyl)-2-methylpropyl]imino-1-oxido-1,2,5-thiadiazol-1-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight445.513
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.0
SynonymsN/A
Inchi KeyFXZPQNIHNJKMLA-WYXXSATOSA-N
Inchi IDInChI=1S/C21H24FN5O3S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-31(30)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-,31?/m1/s1
PubChem CID136036526
ChEMBLCHEMBL402144
IUPHARN/A
BindingDB50227010
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
560068C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
560067C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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