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Ligand

NameCHEMBL3729606
Molecular formulaC28H28ClF2N7O4S
IUPAC name1-[7-(2-chloro-4-fluoro-5-methylanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl-3-ethylurea
Molecular weight632.084
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.6
SynonymsSCHEMBL14471547
Inchi KeyCRHYMIGYUGWBRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28ClF2N7O4S/c1-3-32-28(40)36-43(41,42)24-15-34-38-25(35-23-12-16(2)22(31)13-21(23)29)20(14-33-26(24)38)27(39)37-10-8-18(9-11-37)17-4-6-19(30)7-5-17/h4-7,12-15,18,35H,3,8-11H2,1-2H3,(H2,32,36,40)
PubChem CID71178880
ChEMBLCHEMBL3729606
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
522962C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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