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Ligand

NameCHEMBL2207284
Molecular formulaC25H28Cl2N4O6S
IUPAC nameN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-7-(methylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxamide
Molecular weight583.481
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.2
SynonymsSCHEMBL2916289
AMEQLQYPRVOFMB-OAHLLOKOSA-N
BDBM50402117
N-{(2R)-3-[4-(3,4-Dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl}-7-[(methylamino)sulfonyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Inchi KeyAMEQLQYPRVOFMB-OAHLLOKOSA-N
Inchi IDInChI=1S/C25H28Cl2N4O6S/c1-28-38(35,36)18-3-4-19-20(11-18)24(33)30-13-21(19)25(34)29-12-15(32)14-31-8-6-16(7-9-31)37-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,28,32H,6-9,12,14H2,1H3,(H,29,34)(H,30,33)/t15-/m1/s1
PubChem CID59296048
ChEMBLCHEMBL2207284
IUPHARN/A
BindingDB50402117
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8812C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
8811Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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