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Ligand

NameSCHEMBL13207037
Molecular formulaC21H27N5O4S
IUPAC name3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight445.538
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50227005
3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-propylamino]-1-oxo-1H-1lambda4-[1,2,5]thiadiazol-3-ylamino}-2-hydroxy-N,N-dimethyl-benzamide
Inchi KeyGEWHNBHOBDABRZ-WYXXSATOSA-N
Inchi IDInChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1
PubChem CID135457545
ChEMBLCHEMBL254943
IUPHARN/A
BindingDB50227005
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
560246C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
560247C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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