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Ligand

NameCHEMBL3729731
Molecular formulaC29H30FN7O5S
IUPAC name1-ethyl-3-[7-(4-fluoro-2-methylanilino)-6-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylurea
Molecular weight607.661
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.9
SynonymsSCHEMBL15914596
Inchi KeyAOYUKGGFKUUXCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H30FN7O5S/c1-3-31-28(39)35-43(40,41)24-16-33-37-25(34-23-9-8-20(30)14-18(23)2)21(15-32-26(24)37)27(38)36-12-10-29(11-13-36)22-7-5-4-6-19(22)17-42-29/h4-9,14-16,34H,3,10-13,17H2,1-2H3,(H2,31,35,39)
PubChem CID90312235
ChEMBLCHEMBL3729731
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
521742C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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