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Ligand

NameCHEMBL3732275
Molecular formulaC29H27Cl2FN6O5S
IUPAC nameN-[7-(2,5-dichloroanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfonyl-3-methyloxetane-3-carboxamide
Molecular weight661.53
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL14471998
OWNNWIKYYQTZRS-UHFFFAOYSA-N
N-{7-(2,5-dichlorophenylamino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl}-3-methyloxetane-3-carboxamide
Inchi KeyOWNNWIKYYQTZRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H27Cl2FN6O5S/c1-29(15-43-16-29)28(40)36-44(41,42)24-14-34-38-25(35-23-12-19(30)4-7-22(23)31)21(13-33-26(24)38)27(39)37-10-8-18(9-11-37)17-2-5-20(32)6-3-17/h2-7,12-14,18,35H,8-11,15-16H2,1H3,(H,36,40)
PubChem CID71179085
ChEMBLCHEMBL3732275
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
528730C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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