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Ligand

NameCHEMBL3729372
Molecular formulaC27H28F2N6O3S
IUPAC nameN-ethyl-7-(4-fluoro-2-methylanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide
Molecular weight554.617
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.3
SynonymsSCHEMBL14471725
KNNSYKGPBQCOCI-UHFFFAOYSA-N
N-ethyl-7-(4-fluoro-2-methylphenylamino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide
Inchi KeyKNNSYKGPBQCOCI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28F2N6O3S/c1-3-32-39(37,38)24-16-31-35-25(33-23-9-8-21(29)14-17(23)2)22(15-30-26(24)35)27(36)34-12-10-19(11-13-34)18-4-6-20(28)7-5-18/h4-9,14-16,19,32-33H,3,10-13H2,1-2H3
PubChem CID53379325
ChEMBLCHEMBL3729372
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
526435C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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