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Ligand

NameSCHEMBL1198537
Molecular formulaC21H23ClFN3O4S
IUPAC name1-[3-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-chloro-2-hydroxyphenyl]-3-(3-fluoro-2-methylphenyl)urea
Molecular weight467.94
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.8
SynonymsCHEMBL3952903
SCHEMBL1198986
SCHEMBL12878816
Inchi KeyFLPRVHAJERWVDF-PBWFPOADSA-N
Inchi IDInChI=1S/C21H23ClFN3O4S/c1-11-16(23)3-2-4-17(11)25-21(28)26-18-8-7-15(22)20(19(18)27)31(29,30)14-9-12-5-6-13(10-14)24-12/h2-4,7-8,12-14,24,27H,5-6,9-10H2,1H3,(H2,25,26,28)/t12-,13+,14?
PubChem CID57649026
ChEMBLCHEMBL3952903
IUPHARN/A
BindingDBN/A
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
537995C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
537994C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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