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Ligand

NameCHEMBL3099957
Molecular formulaC23H25ClN2O3S
IUPAC name(2S)-1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
Molecular weight444.974
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL5427323
BDBM50444992
SCHEMBL5427320
Inchi KeyCVGAXTRRJOEDEZ-SFHVURJKSA-N
Inchi IDInChI=1S/C23H25ClN2O3S/c1-15-25-22-20(3-2-4-21(22)30-15)28-14-18(27)13-26-9-7-23(8-10-26)12-16-11-17(24)5-6-19(16)29-23/h2-6,11,18,27H,7-10,12-14H2,1H3/t18-/m0/s1
PubChem CID69437067
ChEMBLCHEMBL3099957
IUPHARN/A
BindingDB50444992
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
51425C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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