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Ligand

NameCHEMBL3732278
Molecular formulaC28H27ClN6O5S
IUPAC nameN-[7-(2-chloro-5-methylanilino)-6-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylacetamide
Molecular weight595.071
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.2
SynonymsUCVKVXZPNANIBM-UHFFFAOYSA-N
N-{7-(2-Chloro-5-methylphenylamino)-6-[3H-spiro(isobenzofuran-1,4'-piperidine)-1'-carbonyl]pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl}acetamide
SCHEMBL15915856
Inchi KeyUCVKVXZPNANIBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27ClN6O5S/c1-17-7-8-22(29)23(13-17)32-25-20(14-30-26-24(15-31-35(25)26)41(38,39)33-18(2)36)27(37)34-11-9-28(10-12-34)21-6-4-3-5-19(21)16-40-28/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,33,36)
PubChem CID90313170
ChEMBLCHEMBL3732278
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
530861C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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