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Ligand

NameCHEMBL3727497
Molecular formulaC28H27ClFN7O4S
IUPAC nameN-[7-(2-chloro-5-methylanilino)-6-[6-(4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylpropanamide
Molecular weight612.077
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.0
SynonymsITBLEDBSNPAWQC-UHFFFAOYSA-N
N-{7-(2-chloro-5-methylphenylamino)-6-[6-(4-fluorophenyl)-2,6-diazaspiro[3,3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl}propionamide
SCHEMBL14471692
Inchi KeyITBLEDBSNPAWQC-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27ClFN7O4S/c1-3-24(38)34-42(40,41)23-12-32-37-25(33-22-10-17(2)4-9-21(22)29)20(11-31-26(23)37)27(39)36-15-28(16-36)13-35(14-28)19-7-5-18(30)6-8-19/h4-12,33H,3,13-16H2,1-2H3,(H,34,38)
PubChem CID53377927
ChEMBLCHEMBL3727497
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
525605C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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