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Ligand

NameCHEMBL3729178
Molecular formulaC28H28ClFN8O4S
IUPAC name1-[7-(2-chloro-5-methylanilino)-6-[6-(4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl-3-ethylurea
Molecular weight627.092
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.7
SynonymsSCHEMBL14471664
Inchi KeyIIOCLGRLBNEJNC-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28ClFN8O4S/c1-3-31-27(40)35-43(41,42)23-12-33-38-24(34-22-10-17(2)4-9-21(22)29)20(11-32-25(23)38)26(39)37-15-28(16-37)13-36(14-28)19-7-5-18(30)6-8-19/h4-12,34H,3,13-16H2,1-2H3,(H2,31,35,40)
PubChem CID53377695
ChEMBLCHEMBL3729178
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
525394C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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