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Ligand

NameCHEMBL3959737
Molecular formulaC21H25Cl2N5O3S
IUPAC name2-amino-4,6-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
Molecular weight498.423
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50199029
SCHEMBL1035118
Inchi KeyACGUCMXPWIANLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25Cl2N5O3S/c1-14-4-8-28(9-5-14)21(29)19(6-10-27-7-2-3-16(27)13-24)26-32(30,31)20-17(23)11-15(22)12-18(20)25/h2-3,7,11-12,14,19,26H,4-6,8-10,25H2,1H3
PubChem CID58509203
ChEMBLCHEMBL3959737
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
535954C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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