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Ligand

NameCHEMBL3730157
Molecular formulaC28H28ClFN6O4S
IUPAC nameN-[7-(2-chloro-5-methylanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylpropanamide
Molecular weight599.078
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.8
SynonymsSCHEMBL14471782
ROXXCBAGOXVFQD-UHFFFAOYSA-N
N-{7-(2-chloro-5-methylphenylamino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl}ethanecarboxamide
Inchi KeyROXXCBAGOXVFQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28ClFN6O4S/c1-3-25(37)34-41(39,40)24-16-32-36-26(33-23-14-17(2)4-9-22(23)29)21(15-31-27(24)36)28(38)35-12-10-19(11-13-35)18-5-7-20(30)8-6-18/h4-9,14-16,19,33H,3,10-13H2,1-2H3,(H,34,37)
PubChem CID71178958
ChEMBLCHEMBL3730157
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
530021C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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