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Ligand

NameCHEMBL3971886
Molecular formulaC23H27N5O3S
IUPAC nameN-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-5-sulfonamide
Molecular weight453.561
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50198994
SCHEMBL1036738
Inchi KeyCGOUBPVACQVQHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O3S/c1-17-7-12-28(13-8-17)23(29)22(9-14-27-11-2-3-19(27)16-24)26-32(30,31)20-4-5-21-18(15-20)6-10-25-21/h2-6,10-11,15,17,22,25-26H,7-9,12-14H2,1H3
PubChem CID44252468
ChEMBLCHEMBL3971886
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
537045C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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