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Ligand

NameSCHEMBL1198501
Molecular formulaC18H16ClF2N3O6S
IUPAC name1-[4-chloro-2-hydroxy-3-[(3R)-pyrrolidin-3-yl]sulfonylphenyl]-3-(2,2-difluoro-1,3-benzodioxol-4-yl)urea
Molecular weight475.848
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.9
SynonymsCHEMBL3950195
Inchi KeyAPBXDCDLFXRMCV-SECBINFHSA-N
Inchi IDInChI=1S/C18H16ClF2N3O6S/c19-10-4-5-11(14(25)16(10)31(27,28)9-6-7-22-8-9)23-17(26)24-12-2-1-3-13-15(12)30-18(20,21)29-13/h1-5,9,22,25H,6-8H2,(H2,23,24,26)/t9-/m1/s1
PubChem CID57649043
ChEMBLCHEMBL3950195
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
536267C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
536266C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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