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Ligand

NameCHEMBL3099950
Molecular formulaC22H25ClFN3O4
IUPAC name[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-fluorophenyl]urea
Molecular weight449.907
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.7
SynonymsSCHEMBL2366446
BDBM50444999
SCHEMBL2366443
Inchi KeyAIBNCLLVENCCGP-KRWDZBQOSA-N
Inchi IDInChI=1S/C22H25ClFN3O4/c23-15-1-4-19-14(9-15)11-22(31-19)5-7-27(8-6-22)12-17(28)13-30-20-10-16(24)2-3-18(20)26-21(25)29/h1-4,9-10,17,28H,5-8,11-13H2,(H3,25,26,29)/t17-/m0/s1
PubChem CID10482996
ChEMBLCHEMBL3099950
IUPHARN/A
BindingDB50444999
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
6066C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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